2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole

C15H11ClF2N2 — CID 61075050

IUPAC2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1cccc(F)c1F
InChIInChI=1S/C15H11ClF2N2/c1-9(16)15-19-11-6-2-3-7-12(11)20(15)13-8-4-5-10(17)14(13)18/h2-9H,1H3
InChIKeyBKZUBHAJRRISDC-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.60
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole

2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (PubChem CID 61075050) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
PubChem CID61075050
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1cccc(F)c1F
InChIInChI=1S/C15H11ClF2N2/c1-9(16)15-19-11-6-2-3-7-12(11)20(15)13-8-4-5-10(17)14(13)18/h2-9H,1H3
InChIKeyBKZUBHAJRRISDC-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole 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

6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
CID 43667330
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279103
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 63546689
2-(1-chloroethyl)-1-(2-ethylphenyl)-4-fluorobenzimidazole
CID 60788519
2-(1-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719293
1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
CID 63547596

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (CID 61075050) is 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole is CC(Cl)c1nc2ccccc2n1-c1cccc(F)c1F.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The InChIKey is BKZUBHAJRRISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9(16)15-19-11-6-2-3-7-12(11)20(15)13-8-4-5-10(17)14(13)18/h2-9H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole has a molecular weight of 292.72 g/mol, XLogP of 4.60, 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-(2,3-difluorophenyl)benzimidazole is sourced from PubChem (CID 61075050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).