2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C20H24N4O2 — CID 53148797

IUPAC2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C20H24N4O2/c25-19(21-14-7-8-14)13-6-9-17-16(12-13)22-18-20(26)23(10-11-24(17)18)15-4-2-1-3-5-15/h6,9,12,14-15H,1-5,7-8,10-11H2,(H,21,25)
InChIKeyJFVTXSPLGNEIKD-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.72
Rot. Bonds3

About 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 53148797) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID53148797
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C20H24N4O2/c25-19(21-14-7-8-14)13-6-9-17-16(12-13)22-18-20(26)23(10-11-24(17)18)15-4-2-1-3-5-15/h6,9,12,14-15H,1-5,7-8,10-11H2,(H,21,25)
InChIKeyJFVTXSPLGNEIKD-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148781
2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 71842610
2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148789
2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
CID 53148808
2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
CID 53148780
1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 153153541
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
CID 69469931
1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
CID 23378171
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 53148797) is 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is O=C(NC1CC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O.
What is the InChIKey of 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is JFVTXSPLGNEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(21-14-7-8-14)13-6-9-17-16(12-13)22-18-20(26)23(10-11-24(17)18)15-4-2-1-3-5-15/h6,9,12,14-15H,1-5,7-8,10-11H2,(H,21,25).
What are the key properties of 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 53148797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).