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

C23H31N5O3 — CID 53148789

IUPAC2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H31N5O3/c29-22(24-8-9-26-12-14-31-15-13-26)17-6-7-20-19(16-17)25-21-23(30)27(10-11-28(20)21)18-4-2-1-3-5-18/h6-7,16,18H,1-5,8-15H2,(H,24,29)
InChIKeyUJVZPQUDNANGDA-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.89
Rot. Bonds5

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

2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 53148789) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID53148789
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H31N5O3/c29-22(24-8-9-26-12-14-31-15-13-26)17-6-7-20-19(16-17)25-21-23(30)27(10-11-28(20)21)18-4-2-1-3-5-18/h6-7,16,18H,1-5,8-15H2,(H,24,29)
InChIKeyUJVZPQUDNANGDA-UHFFFAOYSA-N
XLogP1.89
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148797
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
CID 53148780
N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 22579615
1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 4103678
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
2-amino-N-(2-morpholin-4-ylethyl)quinazoline-7-carboxamide
CID 143569714
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72927304

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 53148789) is 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O.
What is the InChIKey of 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is UJVZPQUDNANGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22(24-8-9-26-12-14-31-15-13-26)17-6-7-20-19(16-17)25-21-23(30)27(10-11-28(20)21)18-4-2-1-3-5-18/h6-7,16,18H,1-5,8-15H2,(H,24,29).
What are the key properties of 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 53148789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).