2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole

C16H15ClN2O2 — CID 62504109

IUPAC2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(Cc3cccc(Cl)c3)[nH]c2cc1OC
InChIInChI=1S/C16H15ClN2O2/c1-20-14-8-12-13(9-15(14)21-2)19-16(18-12)7-10-4-3-5-11(17)6-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyKWASLAMEQMMUAI-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.82
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole

2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole (PubChem CID 62504109) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
PubChem CID62504109
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(Cc3cccc(Cl)c3)[nH]c2cc1OC
InChIInChI=1S/C16H15ClN2O2/c1-20-14-8-12-13(9-15(14)21-2)19-16(18-12)7-10-4-3-5-11(17)6-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyKWASLAMEQMMUAI-UHFFFAOYSA-N
XLogP3.82
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-ol
CID 9839919
5-methoxy-2-phenyl-1H-benzimidazole
CID 745079
3-(5-Methoxy-1H-benzoimidazol-2-yl)-phenylamine
CID 754001
(2E)-2-(1H-benzimidazol-2-yl)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enenitrile
CID 5286531
5-Ethoxy-2-phenyl-1H-benzoimidazole
CID 648054
2-[(4-chlorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 741004
4-(5-Methoxy-1H-benzoimidazol-2-yl)-phenylamine
CID 784698
2-((5,6-dimethoxy-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
CID 44407769

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole (CID 62504109) is 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(Cc3cccc(Cl)c3)[nH]c2cc1OC.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is KWASLAMEQMMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-20-14-8-12-13(9-15(14)21-2)19-16(18-12)7-10-4-3-5-11(17)6-10/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole?
2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 302.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 62504109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).