2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole

C16H13Cl2FN2 — CID 107637764

IUPAC2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-12(18)15(8-10)21-14-5-3-11(19)9-13(14)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyLNATYOQJTORFKK-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole

2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole (PubChem CID 107637764) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
PubChem CID107637764
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-12(18)15(8-10)21-14-5-3-11(19)9-13(14)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3
InChIKeyLNATYOQJTORFKK-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.91
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-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole (CID 107637764) is 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole is Cc1ccc(Cl)c(-n2c(CCCl)nc3cc(F)ccc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
The InChIKey is LNATYOQJTORFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10-2-4-12(18)15(8-10)21-14-5-3-11(19)9-13(14)20-16(21)6-7-17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole?
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole has a molecular weight of 323.20 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 107637764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).