2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole

C15H12ClF2N3 — CID 62533244

IUPAC2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1ccc2nc(CCl)n(CCc3ccccn3)c2c1F
InChIInChI=1S/C15H12ClF2N3/c16-9-13-20-12-5-4-11(17)14(18)15(12)21(13)8-6-10-3-1-2-7-19-10/h1-5,7H,6,8-9H2
InChIKeyTVSFIEKEKGOXIV-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.69
Rot. Bonds4

About 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole (PubChem CID 62533244) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
PubChem CID62533244
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESFc1ccc2nc(CCl)n(CCc3ccccn3)c2c1F
InChIInChI=1S/C15H12ClF2N3/c16-9-13-20-12-5-4-11(17)14(18)15(12)21(13)8-6-10-3-1-2-7-19-10/h1-5,7H,6,8-9H2
InChIKeyTVSFIEKEKGOXIV-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 60789969
4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
4,5-difluoro-3-(2-pyridin-2-ylethyl)-1H-benzimidazole-2-thione
CID 62532190
2-(chloromethyl)-6,7-difluoro-1-octylbenzimidazole
CID 115569242
2-(chloromethyl)-6,7-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62533886
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
CID 63004461
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
CID 62533395
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole (CID 62533244) is 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole is Fc1ccc2nc(CCl)n(CCc3ccccn3)c2c1F.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
The InChIKey is TVSFIEKEKGOXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-9-13-20-12-5-4-11(17)14(18)15(12)21(13)8-6-10-3-1-2-7-19-10/h1-5,7H,6,8-9H2.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole has a molecular weight of 307.73 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 62533244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).