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

C15H12Cl2N2O — CID 115470981

IUPAC6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-n2c(CCl)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2N2O/c1-20-12-4-2-3-11(8-12)19-14-7-10(17)5-6-13(14)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyNPXJOGPPKJJZNZ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.43
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole

6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole (PubChem CID 115470981) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
PubChem CID115470981
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-n2c(CCl)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2N2O/c1-20-12-4-2-3-11(8-12)19-14-7-10(17)5-6-13(14)18-15(19)9-16/h2-8H,9H2,1H3
InChIKeyNPXJOGPPKJJZNZ-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

6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
CID 115509147
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole (CID 115470981) is 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole is COc1cccc(-n2c(CCl)nc3ccc(Cl)cc32)c1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole?
The InChIKey is NPXJOGPPKJJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-20-12-4-2-3-11(8-12)19-14-7-10(17)5-6-13(14)18-15(19)9-16/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)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 6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 115470981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).