2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole

C16H13Cl2FN2 — CID 103593289

IUPAC2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3
InChIKeyYFYDLHULFIIRIT-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.43
Rot. Bonds2

About 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole

2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole (PubChem CID 103593289) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
PubChem CID103593289
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2FN2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3
InChIKeyYFYDLHULFIIRIT-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

2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593361
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
2-(1-chloroethyl)-3-(3-chlorophenyl)benzimidazole-5-carbonitrile
CID 104715320
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole (CID 103593289) is 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole is Cc1cc2c(cc1F)nc(C(C)Cl)n2-c1cccc(Cl)c1.
What is the InChIKey of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole?
The InChIKey is YFYDLHULFIIRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-9-6-15-14(8-13(9)19)20-16(10(2)17)21(15)12-5-3-4-11(18)7-12/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole?
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole 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 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole is sourced from PubChem (CID 103593289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).