1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole

C15H12Cl2N2O — CID 29075973

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3ccccc32)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-20-14-7-6-10(8-11(14)17)19-13-5-3-2-4-12(13)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyBEKXLYVYASEFFN-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.43
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole

1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 29075973) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
PubChem CID29075973
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3ccccc32)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-20-14-7-6-10(8-11(14)17)19-13-5-3-2-4-12(13)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyBEKXLYVYASEFFN-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107622390
2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79273787
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one
CID 160953694
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
CID 171806435

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole (CID 29075973) is 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole is COc1ccc(-n2c(CCl)nc3ccccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is BEKXLYVYASEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-20-14-7-6-10(8-11(14)17)19-13-5-3-2-4-12(13)18-15(19)9-16/h2-8H,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole?
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 307.18 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 29075973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).