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

C24H26N4O2 — CID 53148781

IUPAC2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-16-7-10-18(11-8-16)25-23(29)17-9-12-21-20(15-17)26-22-24(30)27(13-14-28(21)22)19-5-3-2-4-6-19/h7-12,15,19H,2-6,13-14H2,1H3,(H,25,29)
InChIKeyXVYBNWYWZQTONS-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.39
Rot. Bonds3

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

2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 53148781) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID53148781
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-16-7-10-18(11-8-16)25-23(29)17-9-12-21-20(15-17)26-22-24(30)27(13-14-28(21)22)19-5-3-2-4-6-19/h7-12,15,19H,2-6,13-14H2,1H3,(H,25,29)
InChIKeyXVYBNWYWZQTONS-UHFFFAOYSA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 53148781) is 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is XVYBNWYWZQTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-7-10-18(11-8-16)25-23(29)17-9-12-21-20(15-17)26-22-24(30)27(13-14-28(21)22)19-5-3-2-4-6-19/h7-12,15,19H,2-6,13-14H2,1H3,(H,25,29).
What are the key properties of 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 53148781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).