1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one

C16H12F2N2O — CID 105085102

IUPAC1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cn1cnc2ccccc21
InChIInChI=1S/C16H12F2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2
InChIKeyDMJDRSWLPSSALI-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.13
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one

1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one (PubChem CID 105085102) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
PubChem CID105085102
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cn1cnc2ccccc21
InChIInChI=1S/C16H12F2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2
InChIKeyDMJDRSWLPSSALI-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
CID 134001610
1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
CID 105089763
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
1-(benzimidazol-1-yl)-3-(3-chloro-4-pyridinyl)propan-2-one
CID 105107550
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
4-(benzimidazol-1-yl)-3-oxobutanenitrile
CID 162370725
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one (CID 105085102) is 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1F)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one?
The InChIKey is DMJDRSWLPSSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-6-5-11(14(18)8-12)7-13(21)9-20-10-19-15-3-1-2-4-16(15)20/h1-6,8,10H,7,9H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one?
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one has a molecular weight of 286.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 105085102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).