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

C20H26N4O3 — CID 135022954

IUPACN-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc2c(c1)nc1n2C(C(=O)NC2CCCCC2)C(=O)NC1(C)C
InChIInChI=1S/C20H26N4O3/c1-20(2)19-22-14-11-13(27-3)9-10-15(14)24(19)16(18(26)23-20)17(25)21-12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyVOGRMEAFDYACNF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.40
Rot. Bonds3

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

N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135022954) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide
PubChem CID135022954
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc2c(c1)nc1n2C(C(=O)NC2CCCCC2)C(=O)NC1(C)C
InChIInChI=1S/C20H26N4O3/c1-20(2)19-22-14-11-13(27-3)9-10-15(14)24(19)16(18(26)23-20)17(25)21-12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyVOGRMEAFDYACNF-UHFFFAOYSA-N
XLogP2.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide (CID 135022954) is N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide is COc1ccc2c(c1)nc1n2C(C(=O)NC2CCCCC2)C(=O)NC1(C)C.
What is the InChIKey of N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is VOGRMEAFDYACNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2)19-22-14-11-13(27-3)9-10-15(14)24(19)16(18(26)23-20)17(25)21-12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide?
N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135022954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).