5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one

C15H13N3O2 — CID 110867224

IUPAC5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(C(=O)c3ccccc3)c2cc1N
InChIInChI=1S/C15H13N3O2/c1-9-7-12-13(8-11(9)16)18(15(20)17-12)14(19)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,20)
InChIKeyGDRNOKBRVMICIS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.91
Rot. Bonds1

About 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one

5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one (PubChem CID 110867224) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
PubChem CID110867224
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(C(=O)c3ccccc3)c2cc1N
InChIInChI=1S/C15H13N3O2/c1-9-7-12-13(8-11(9)16)18(15(20)17-12)14(19)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,20)
InChIKeyGDRNOKBRVMICIS-UHFFFAOYSA-N
XLogP1.91
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one (CID 110867224) is 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one is Cc1cc2[nH]c(=O)n(C(=O)c3ccccc3)c2cc1N.
What is the InChIKey of 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one?
The InChIKey is GDRNOKBRVMICIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-12-13(8-11(9)16)18(15(20)17-12)14(19)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,20).
What are the key properties of 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one?
5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 110867224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).