5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one

C15H11ClN2O2 — CID 43338651

IUPAC5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c16-11-4-2-1-3-9(11)8-14(19)10-5-6-12-13(7-10)18-15(20)17-12/h1-7H,8H2,(H2,17,18,20)
InChIKeyQVLPMLGEQIHSHA-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.93
Rot. Bonds3

About 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43338651) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43338651
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c16-11-4-2-1-3-9(11)8-14(19)10-5-6-12-13(7-10)18-15(20)17-12/h1-7H,8H2,(H2,17,18,20)
InChIKeyQVLPMLGEQIHSHA-UHFFFAOYSA-N
XLogP2.93
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one
CID 116832745
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
2-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962970
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 35595678
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 106892538
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one (CID 43338651) is 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QVLPMLGEQIHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-4-2-1-3-9(11)8-14(19)10-5-6-12-13(7-10)18-15(20)17-12/h1-7H,8H2,(H2,17,18,20).
What are the key properties of 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 286.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43338651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).