3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one

C16H12F2N2O — CID 116691892

IUPAC3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCn1cnc2cc(F)c(F)cc21)c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-12-8-14-15(9-13(12)18)20(10-19-14)7-6-16(21)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyVJEDIRYBKLHKAM-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.59
Rot. Bonds4

About 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one

3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691892) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one
PubChem CID116691892
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCn1cnc2cc(F)c(F)cc21)c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-12-8-14-15(9-13(12)18)20(10-19-14)7-6-16(21)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyVJEDIRYBKLHKAM-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
CID 755572
Takinib
CID 37750349
4-(1H-1,3-benzodiazol-1-yl)benzaldehyde
CID 737733
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
1-Phenylbenzimidazole deriv. 72
CID 5328471
carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3
CID 127047625

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one (CID 116691892) is 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one is O=C(CCn1cnc2cc(F)c(F)cc21)c1ccccc1.
What is the InChIKey of 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one?
The InChIKey is VJEDIRYBKLHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-8-14-15(9-13(12)18)20(10-19-14)7-6-16(21)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one?
3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one has a molecular weight of 286.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).