6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

C16H13Cl2FN2 — CID 115470923

IUPAC6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2FN2/c1-9-7-12(19)4-6-14(9)21-15-8-11(18)3-5-13(15)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyHRPYUWJLIROTCV-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.43
Rot. Bonds2

About 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (PubChem CID 115470923) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
PubChem CID115470923
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-n1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H13Cl2FN2/c1-9-7-12(19)4-6-14(9)21-15-8-11(18)3-5-13(15)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyHRPYUWJLIROTCV-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
1-(4-bromo-3-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471037
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593361
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole (CID 115470923) is 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is Cc1cc(F)ccc1-n1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is HRPYUWJLIROTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-9-7-12(19)4-6-14(9)21-15-8-11(18)3-5-13(15)20-16(21)10(2)17/h3-8,10H,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole has a molecular weight of 323.20 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 115470923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).