2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole

C14H15ClF2N2 — CID 113325667

IUPAC2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCCl)n(CC3CCC3)c2c1
InChIInChI=1S/C14H15ClF2N2/c15-5-4-13-18-14-11(17)6-10(16)7-12(14)19(13)8-9-2-1-3-9/h6-7,9H,1-5,8H2
InChIKeyOAZKVHMSDRQWIM-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole

2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole (PubChem CID 113325667) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
PubChem CID113325667
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCCl)n(CC3CCC3)c2c1
InChIInChI=1S/C14H15ClF2N2/c15-5-4-13-18-14-11(17)6-10(16)7-12(14)19(13)8-9-2-1-3-9/h6-7,9H,1-5,8H2
InChIKeyOAZKVHMSDRQWIM-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.90
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-(cyclobutylmethyl)-4,6-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-(2-chloroethyl)-1-(cyclopropylmethyl)-4,6-difluorobenzimidazole
CID 115508994
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
2-(2-chloroethyl)-4,6-difluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 115508990
2-(chloromethyl)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
2-(2-chloroethyl)-4-fluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 63713674
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole (CID 113325667) is 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole is Fc1cc(F)c2nc(CCCl)n(CC3CCC3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole?
The InChIKey is OAZKVHMSDRQWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2/c15-5-4-13-18-14-11(17)6-10(16)7-12(14)19(13)8-9-2-1-3-9/h6-7,9H,1-5,8H2.
What are the key properties of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole?
2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole has a molecular weight of 284.74 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole is sourced from PubChem (CID 113325667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).