1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole

C22H19ClN2O2 — CID 20930586

IUPAC1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3
InChIKeyVSIWGSMZNZYGPH-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.42
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole

1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole (PubChem CID 20930586) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
PubChem CID20930586
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3
InChIKeyVSIWGSMZNZYGPH-UHFFFAOYSA-N
XLogP5.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 2768937
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole (CID 20930586) is 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole is COc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole?
The InChIKey is VSIWGSMZNZYGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole has a molecular weight of 378.86 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole is sourced from PubChem (CID 20930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).