2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole

C17H16ClFN2 — CID 43667053

IUPAC2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
SMILESCc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1C
InChIInChI=1S/C17H16ClFN2/c1-11-4-3-5-15(12(11)2)21-16-7-6-13(19)10-14(16)20-17(21)8-9-18/h3-7,10H,8-9H2,1-2H3
InChIKeyCXQWZQRSCQDILK-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.56
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole

2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole (PubChem CID 43667053) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
PubChem CID43667053
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
SMILESCc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1C
InChIInChI=1S/C17H16ClFN2/c1-11-4-3-5-15(12(11)2)21-16-7-6-13(19)10-14(16)20-17(21)8-9-18/h3-7,10H,8-9H2,1-2H3
InChIKeyCXQWZQRSCQDILK-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
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-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole (CID 43667053) is 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole is Cc1cccc(-n2c(CCCl)nc3cc(F)ccc32)c1C.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole?
The InChIKey is CXQWZQRSCQDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-11-4-3-5-15(12(11)2)21-16-7-6-13(19)10-14(16)20-17(21)8-9-18/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole?
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole has a molecular weight of 302.78 g/mol, XLogP of 4.56, 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-(2,3-dimethylphenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 43667053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).