5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one

C16H14N2O2 — CID 158499935

IUPAC5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-13(8-11-4-2-1-3-5-11)9-12-6-7-14-15(10-12)18-16(20)17-14/h1-7,10H,8-9H2,(H2,17,18,20)
InChIKeyHJTMSWBILABRRS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.21
Rot. Bonds4

About 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one

5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 158499935) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID158499935
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-13(8-11-4-2-1-3-5-11)9-12-6-7-14-15(10-12)18-16(20)17-14/h1-7,10H,8-9H2,(H2,17,18,20)
InChIKeyHJTMSWBILABRRS-UHFFFAOYSA-N
XLogP2.21
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
1,3-diphenyl(213C)propan-2-one
CID 100945080
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 159840558
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one (CID 158499935) is 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccccc1)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HJTMSWBILABRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-13(8-11-4-2-1-3-5-11)9-12-6-7-14-15(10-12)18-16(20)17-14/h1-7,10H,8-9H2,(H2,17,18,20).
What are the key properties of 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 158499935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).