N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C21H21ClN4O2 — CID 53148732

IUPACN-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCC(C)N1CCn2c(nc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)C1=O
InChIInChI=1S/C21H21ClN4O2/c1-13(2)25-8-9-26-18-7-6-15(11-17(18)24-19(26)21(25)28)20(27)23-12-14-4-3-5-16(22)10-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,27)
InChIKeyYMAKNXZZHLOWKP-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.48
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 53148732) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID53148732
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCC(C)N1CCn2c(nc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)C1=O
InChIInChI=1S/C21H21ClN4O2/c1-13(2)25-8-9-26-18-7-6-15(11-17(18)24-19(26)21(25)28)20(27)23-12-14-4-3-5-16(22)10-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,27)
InChIKeyYMAKNXZZHLOWKP-UHFFFAOYSA-N
XLogP3.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 95097028
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991058
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 53148732) is N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is CC(C)N1CCn2c(nc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)C1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is YMAKNXZZHLOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13(2)25-8-9-26-18-7-6-15(11-17(18)24-19(26)21(25)28)20(27)23-12-14-4-3-5-16(22)10-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 53148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).