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

C23H31N5O2 — CID 53148780

IUPAC2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H31N5O2/c1-2-25-10-12-26(13-11-25)22(29)17-8-9-20-19(16-17)24-21-23(30)27(14-15-28(20)21)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3
InChIKeyOUWWTRMVNDUYDX-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.60
Rot. Bonds3

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

2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (PubChem CID 53148780) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
PubChem CID53148780
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H31N5O2/c1-2-25-10-12-26(13-11-25)22(29)17-8-9-20-19(16-17)24-21-23(30)27(14-15-28(20)21)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3
InChIKeyOUWWTRMVNDUYDX-UHFFFAOYSA-N
XLogP2.60
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
CID 53148808
2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148797
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
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
(2-ethylindazol-6-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53017468
6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 26009570
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 61478085
2,1,3-benzothiadiazol-5-yl-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891901
N,2-diethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 25251653
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (CID 53148780) is 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is CCN1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1.
What is the InChIKey of 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is OUWWTRMVNDUYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-2-25-10-12-26(13-11-25)22(29)17-8-9-20-19(16-17)24-21-23(30)27(14-15-28(20)21)18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3.
What are the key properties of 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 409.53 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(4-ethylpiperazine-1-carbonyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 53148780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).