2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

C21H26N4O3 — CID 53148808

IUPAC2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C(c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(23-10-12-28-13-11-23)15-6-7-18-17(14-15)22-19-21(27)24(8-9-25(18)19)16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13H2
InChIKeyQRETYTINRMZEMV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.30
Rot. Bonds2

About 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (PubChem CID 53148808) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
PubChem CID53148808
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C(c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(23-10-12-28-13-11-23)15-6-7-18-17(14-15)22-19-21(27)24(8-9-25(18)19)16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13H2
InChIKeyQRETYTINRMZEMV-UHFFFAOYSA-N
XLogP2.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (CID 53148808) is 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is O=C(c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)N1CCOCC1.
What is the InChIKey of 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is QRETYTINRMZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(23-10-12-28-13-11-23)15-6-7-18-17(14-15)22-19-21(27)24(8-9-25(18)19)16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13H2.
What are the key properties of 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 382.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 53148808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).