5-benzoyl-1,3-dimethylbenzimidazol-2-one

C16H14N2O2 — CID 605217

IUPAC5-benzoyl-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14N2O2/c1-17-13-9-8-12(10-14(13)18(2)16(17)20)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyLFYCNQSFDUQWME-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.11
Rot. Bonds2

About 5-benzoyl-1,3-dimethylbenzimidazol-2-one

5-benzoyl-1,3-dimethylbenzimidazol-2-one (PubChem CID 605217) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-benzoyl-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-benzoyl-1,3-dimethylbenzimidazol-2-one
PubChem CID605217
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-benzoyl-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14N2O2/c1-17-13-9-8-12(10-14(13)18(2)16(17)20)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyLFYCNQSFDUQWME-UHFFFAOYSA-N
XLogP2.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-benzoyl-1,3-dimethylbenzimidazol-2-one (CID 605217) is 5-benzoyl-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-benzoyl-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-benzoyl-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 5-benzoyl-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LFYCNQSFDUQWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-17-13-9-8-12(10-14(13)18(2)16(17)20)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5-benzoyl-1,3-dimethylbenzimidazol-2-one?
5-benzoyl-1,3-dimethylbenzimidazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 605217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).