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

C15H11Cl2FN2O — CID 104837657

IUPAC4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3c(Cl)cccc32)cc1F
InChIInChI=1S/C15H11Cl2FN2O/c1-21-13-6-5-9(7-11(13)18)20-12-4-2-3-10(17)15(12)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyOFNRPCCFLZEKRD-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.57
Rot. Bonds3

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

4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole (PubChem CID 104837657) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
PubChem CID104837657
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3c(Cl)cccc32)cc1F
InChIInChI=1S/C15H11Cl2FN2O/c1-21-13-6-5-9(7-11(13)18)20-12-4-2-3-10(17)15(12)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyOFNRPCCFLZEKRD-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.57
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-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)-7-methylbenzimidazole
CID 115552991
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole (CID 104837657) is 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole is COc1ccc(-n2c(CCl)nc3c(Cl)cccc32)cc1F.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole?
The InChIKey is OFNRPCCFLZEKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c1-21-13-6-5-9(7-11(13)18)20-12-4-2-3-10(17)15(12)19-14(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole has a molecular weight of 325.17 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 104837657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).