2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole

C16H19ClF2N2 — CID 62531724

IUPAC2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(CCC3CCCC3)c2c1F
InChIInChI=1S/C16H19ClF2N2/c17-9-7-14-20-13-6-5-12(18)15(19)16(13)21(14)10-8-11-3-1-2-4-11/h5-6,11H,1-4,7-10H2
InChIKeyOAAKZSDYBFCTTC-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.68
Rot. Bonds5

About 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole

2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole (PubChem CID 62531724) has the molecular formula C16H19ClF2N2 and a molecular weight of 312.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
PubChem CID62531724
Molecular FormulaC16H19ClF2N2
Molecular Weight312.79 g/mol
Exact Mass312.12
IUPAC Name2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(CCC3CCCC3)c2c1F
InChIInChI=1S/C16H19ClF2N2/c17-9-7-14-20-13-6-5-12(18)15(19)16(13)21(14)10-8-11-3-1-2-4-11/h5-6,11H,1-4,7-10H2
InChIKeyOAAKZSDYBFCTTC-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.68
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-cyclopentylethyl)-6,7-difluorobenzimidazole 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-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
CID 55086323
2-(2-chloroethyl)-6,7-difluoro-1-(oxan-2-ylmethyl)benzimidazole
CID 62533922
2-(2-chloroethyl)-6,7-difluoro-1-(2-methylsulfonylethyl)benzimidazole
CID 62533733
1-(2-butoxyethyl)-2-(2-chloroethyl)-6,7-difluorobenzimidazole
CID 62532229
2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763416
2-(2-chloroethyl)-6,7-difluoro-1-(4-methoxybutyl)benzimidazole
CID 62532053
2-(2-chloroethyl)-1-(2,2-dimethylbutyl)-6,7-difluorobenzimidazole
CID 103463023
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-(2-chloroethyl)-1-(2,3-dimethylbutyl)-6,7-difluorobenzimidazole
CID 64596576
2-(2-chloroethyl)-6,7-difluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763510
2-(2-chloroethyl)-1-(3-cyclopentylpropyl)-6-fluorobenzimidazole
CID 106005321

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole (CID 62531724) is 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole is Fc1ccc2nc(CCCl)n(CCC3CCCC3)c2c1F.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole?
The InChIKey is OAAKZSDYBFCTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N2/c17-9-7-14-20-13-6-5-12(18)15(19)16(13)21(14)10-8-11-3-1-2-4-11/h5-6,11H,1-4,7-10H2.
What are the key properties of 2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole?
2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole has a molecular weight of 312.79 g/mol, XLogP of 4.68, 5 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-cyclopentylethyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 62531724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).