5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one

C16H14N2O2 — CID 43338635

IUPAC5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-15(9-6-11-4-2-1-3-5-11)12-7-8-13-14(10-12)18-16(20)17-13/h1-5,7-8,10H,6,9H2,(H2,17,18,20)
InChIKeyMJHUXQURCWHZBC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.67
Rot. Bonds4

About 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one

5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43338635) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43338635
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-15(9-6-11-4-2-1-3-5-11)12-7-8-13-14(10-12)18-16(20)17-13/h1-5,7-8,10H,6,9H2,(H2,17,18,20)
InChIKeyMJHUXQURCWHZBC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one (CID 43338635) is 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one is O=C(CCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MJHUXQURCWHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15(9-6-11-4-2-1-3-5-11)12-7-8-13-14(10-12)18-16(20)17-13/h1-5,7-8,10H,6,9H2,(H2,17,18,20).
What are the key properties of 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one?
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43338635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).