1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole

C20H15ClN2O — CID 134816857

IUPAC1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN2O/c1-24-17-6-4-5-14(13-17)20-22-18-7-2-3-8-19(18)23(20)16-11-9-15(21)10-12-16/h2-13H,1H3
InChIKeyHEJSIBXLXYOYQI-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.35
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole

1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole (PubChem CID 134816857) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
PubChem CID134816857
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN2O/c1-24-17-6-4-5-14(13-17)20-22-18-7-2-3-8-19(18)23(20)16-11-9-15(21)10-12-16/h2-13H,1H3
InChIKeyHEJSIBXLXYOYQI-UHFFFAOYSA-N
XLogP5.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40552549
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
(E)-3-[3-[1-(4-chlorophenyl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10362929
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole (CID 134816857) is 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole is COc1cccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole?
The InChIKey is HEJSIBXLXYOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-24-17-6-4-5-14(13-17)20-22-18-7-2-3-8-19(18)23(20)16-11-9-15(21)10-12-16/h2-13H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole?
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole has a molecular weight of 334.81 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 134816857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).