2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole

C16H13Cl2FN2 — CID 43667403

IUPAC2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1ccc(F)cc1Cl
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-15-13(8-10)20-16(6-7-17)21(15)14-5-3-11(19)9-12(14)18/h2-5,8-9H,6-7H2,1H3
InChIKeyNVYYKIOBHADEKK-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole (PubChem CID 43667403) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
PubChem CID43667403
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1ccc(F)cc1Cl
InChIInChI=1S/C16H13Cl2FN2/c1-10-2-4-15-13(8-10)20-16(6-7-17)21(15)14-5-3-11(19)9-12(14)18/h2-5,8-9H,6-7H2,1H3
InChIKeyNVYYKIOBHADEKK-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-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole (CID 43667403) is 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2-c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole?
The InChIKey is NVYYKIOBHADEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10-2-4-15-13(8-10)20-16(6-7-17)21(15)14-5-3-11(19)9-12(14)18/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole 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-4-fluorophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43667403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).