2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole

C16H14ClFN2 — CID 103593331

IUPAC2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1
InChIInChI=1S/C16H14ClFN2/c1-11-9-15-14(10-13(11)18)19-16(7-8-17)20(15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyIUOOVDSPKCSTCN-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole

2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole (PubChem CID 103593331) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
PubChem CID103593331
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1
InChIInChI=1S/C16H14ClFN2/c1-11-9-15-14(10-13(11)18)19-16(7-8-17)20(15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyIUOOVDSPKCSTCN-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole 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

2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole (CID 103593331) is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole is Cc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole?
The InChIKey is IUOOVDSPKCSTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-11-9-15-14(10-13(11)18)19-16(7-8-17)20(15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole?
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole has a molecular weight of 288.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 103593331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).