N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C20H19N5O3 — CID 23474627

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O3/c1-10(2)16(17-21-12-5-3-4-6-13(12)22-17)25-18(26)11-7-8-14-15(9-11)24-20(28)19(27)23-14/h3-10,16H,1-2H3,(H,21,22)(H,23,27)(H,24,28)(H,25,26)
InChIKeyZRYSFSKYZXFIJD-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474627) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474627
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O3/c1-10(2)16(17-21-12-5-3-4-6-13(12)22-17)25-18(26)11-7-8-14-15(9-11)24-20(28)19(27)23-14/h3-10,16H,1-2H3,(H,21,22)(H,23,27)(H,24,28)(H,25,26)
InChIKeyZRYSFSKYZXFIJD-UHFFFAOYSA-N
XLogP2.22
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 134011441
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 23474627) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CC(C)C(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is ZRYSFSKYZXFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-10(2)16(17-21-12-5-3-4-6-13(12)22-17)25-18(26)11-7-8-14-15(9-11)24-20(28)19(27)23-14/h3-10,16H,1-2H3,(H,21,22)(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).