6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole

C18H16N4 — CID 14518485

IUPAC6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1
InChIInChI=1S/C18H16N4/c1-13-3-2-4-14(9-13)18(22-8-7-19-12-22)15-5-6-16-17(10-15)21-11-20-16/h2-12,18H,1H3,(H,20,21)
InChIKeyQZXKGDLMANSUSE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.71
Rot. Bonds3

About 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole

6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole (PubChem CID 14518485) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
PubChem CID14518485
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1
InChIInChI=1S/C18H16N4/c1-13-3-2-4-14(9-13)18(22-8-7-19-12-22)15-5-6-16-17(10-15)21-11-20-16/h2-12,18H,1H3,(H,20,21)
InChIKeyQZXKGDLMANSUSE-UHFFFAOYSA-N
XLogP3.71
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole
CID 14518486
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
6-[imidazol-1-yl(phenyl)methyl]quinoline sulfate
CID 19967120
6-pentan-3-yl-1H-benzimidazole
CID 134401277
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444818
7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
CID 19875903
1-benzhydrylimidazole;hydrobromide
CID 174865219
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
CID 174253114
6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
CID 143057236
6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one
CID 174347173
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154

Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole (CID 14518485) is 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole is Cc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1.
What is the InChIKey of 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole?
The InChIKey is QZXKGDLMANSUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-3-2-4-14(9-13)18(22-8-7-19-12-22)15-5-6-16-17(10-15)21-11-20-16/h2-12,18H,1H3,(H,20,21).
What are the key properties of 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole?
6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 14518485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).