1-benzylimidazole

Synonyms :
1-Benzyl-1H-imidazole, N-Benzylimidazole

Status : experimental

Category

Adrenergic alpha-Antagonists

Description

1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.

Chemical Classification

This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.

Phenylmethylamines

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylmethylamines

Chemical Name

1-Benzyl-1H-imidazole

Calculated Property

kind Value Source
logP 1.58 ALOGPS
logS -2 ALOGPS
Water Solubility 1.47e+00 g/l ALOGPS
logP 1.8 ChemAxon
IUPAC Name 1-benzyl-1H-imidazole ChemAxon
Traditional IUPAC Name 1-benzylimidazole ChemAxon
Molecular Weight 158.1998 ChemAxon
Monoisotopic Weight 158.08439833 ChemAxon
SMILES C(N1C=CN=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C10H10N2 ChemAxon
InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2 ChemAxon
InChIKey InChIKey=KKKDZZRICRFGSD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 17.82 ChemAxon
Refractivity 48.52 ChemAxon
Polarizability 17.07 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 6.75 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Affected organism

Humans and other mammals

Target within organism

  • Glutaminyl-peptide cyclotransferase : in Human