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

C14H15ClF2N2 — CID 55086323

IUPAC2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(CC3CCC3)c2c1F
InChIInChI=1S/C14H15ClF2N2/c15-7-6-12-18-11-5-4-10(16)13(17)14(11)19(12)8-9-2-1-3-9/h4-5,9H,1-3,6-8H2
InChIKeyFCVIXEFKEDCCBA-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.90
Rot. Bonds4

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

2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole (PubChem CID 55086323) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
PubChem CID55086323
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(CC3CCC3)c2c1F
InChIInChI=1S/C14H15ClF2N2/c15-7-6-12-18-11-5-4-10(16)13(17)14(11)19(12)8-9-2-1-3-9/h4-5,9H,1-3,6-8H2
InChIKeyFCVIXEFKEDCCBA-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'}

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Related Compounds

2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
CID 62531724
2-(2-chloroethyl)-6,7-difluoro-1-(oxan-2-ylmethyl)benzimidazole
CID 62533922
6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 112741073
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
2-(2-chloroethyl)-1-(2,3-dimethylbutyl)-6,7-difluorobenzimidazole
CID 64596576
5-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420558
2-(2-chloroethyl)-1-(2,2-dimethylbutyl)-6,7-difluorobenzimidazole
CID 103463023
2-[1-(cyclobutylmethyl)-6,7-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 62531701
2-(2-chloroethyl)-6,7-difluoro-1-(oxolan-3-yl)benzimidazole
CID 80713679
2-(2-chloroethyl)-6,7-difluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763510
2-(2-chloroethyl)-6,7-difluoro-1-(2-methylsulfonylethyl)benzimidazole
CID 62533733

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole (CID 55086323) is 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole is Fc1ccc2nc(CCCl)n(CC3CCC3)c2c1F.
What is the InChIKey of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole?
The InChIKey is FCVIXEFKEDCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2/c15-7-6-12-18-11-5-4-10(16)13(17)14(11)19(12)8-9-2-1-3-9/h4-5,9H,1-3,6-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole?
2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-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)-6,7-difluorobenzimidazole is sourced from PubChem (CID 55086323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).