1-(benzimidazol-1-yl)-3-phenylpropan-1-one

C16H14N2O — CID 4630006

IUPAC1-(benzimidazol-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C16H14N2O/c19-16(11-10-13-6-2-1-3-7-13)18-12-17-14-8-4-5-9-15(14)18/h1-9,12H,10-11H2
InChIKeyAUDXAPCAXZWHOM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.31
Rot. Bonds3

About 1-(benzimidazol-1-yl)-3-phenylpropan-1-one

1-(benzimidazol-1-yl)-3-phenylpropan-1-one (PubChem CID 4630006) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-phenylpropan-1-one
PubChem CID4630006
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(benzimidazol-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C16H14N2O/c19-16(11-10-13-6-2-1-3-7-13)18-12-17-14-8-4-5-9-15(14)18/h1-9,12H,10-11H2
InChIKeyAUDXAPCAXZWHOM-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 4630017
1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 15943601
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
bromomethyl benzimidazole-1-carboxylate
CID 135347541
N-phenylbenzimidazole-1-carboxamide
CID 13125705
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
5-[2-(benzimidazol-1-yl)-2-oxoethyl]iminopyrazolidin-3-one
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1-(18-phenyloctadecyl)benzimidazole
CID 67925718

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(benzimidazol-1-yl)-3-phenylpropan-1-one (CID 4630006) is 1-(benzimidazol-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-phenylpropan-1-one?
The InChIKey is AUDXAPCAXZWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(11-10-13-6-2-1-3-7-13)18-12-17-14-8-4-5-9-15(14)18/h1-9,12H,10-11H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-phenylpropan-1-one?
1-(benzimidazol-1-yl)-3-phenylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.31, 3 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-phenylpropan-1-one is sourced from PubChem (CID 4630006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).