4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

C16H12N4O2 — CID 110667501

IUPAC4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc3nc[nH]c3c2)c2ccccc2N1
InChIInChI=1S/C16H12N4O2/c21-15-8-20(14-4-2-1-3-12(14)19-15)16(22)10-5-6-11-13(7-10)18-9-17-11/h1-7,9H,8H2,(H,17,18)(H,19,21)
InChIKeyVMGHNAYDZDKXQE-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.16
Rot. Bonds1

About 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 110667501) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID110667501
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc3nc[nH]c3c2)c2ccccc2N1
InChIInChI=1S/C16H12N4O2/c21-15-8-20(14-4-2-1-3-12(14)19-15)16(22)10-5-6-11-13(7-10)18-9-17-11/h1-7,9H,8H2,(H,17,18)(H,19,21)
InChIKeyVMGHNAYDZDKXQE-UHFFFAOYSA-N
XLogP2.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-(4-bromo-3-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 80948248
4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 71925846
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 110667501) is 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc3nc[nH]c3c2)c2ccccc2N1.
What is the InChIKey of 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is VMGHNAYDZDKXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-15-8-20(14-4-2-1-3-12(14)19-15)16(22)10-5-6-11-13(7-10)18-9-17-11/h1-7,9H,8H2,(H,17,18)(H,19,21).
What are the key properties of 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 292.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 110667501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).