N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C27H26N4O2 — CID 50757198

IUPACN-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCc1cccc(CN2C(=O)c3nc4ccccc4n3CC2(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H26N4O2/c1-19-9-8-12-21(15-19)17-31-25(32)24-29-22-13-6-7-14-23(22)30(24)18-27(31,2)26(33)28-16-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3,(H,28,33)
InChIKeyDHAUIOAKKDRHSK-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.08
Rot. Bonds5

About N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 50757198) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID50757198
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCc1cccc(CN2C(=O)c3nc4ccccc4n3CC2(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H26N4O2/c1-19-9-8-12-21(15-19)17-31-25(32)24-29-22-13-6-7-14-23(22)30(24)18-27(31,2)26(33)28-16-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3,(H,28,33)
InChIKeyDHAUIOAKKDRHSK-UHFFFAOYSA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-benzyl-2-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740906
(3S)-N-benzyl-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740878
N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274174
(3S)-2-benzyl-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 93308782
N-benzyl-3-methyl-1-oxo-2-(4-propan-2-ylphenyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757221
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794499
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553644
(3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089379
N-(2,3-dimethylcyclohexyl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 50757193
(11R)-N-[(4-chlorophenyl)methyl]-11-methyl-10-[(3-methylphenyl)methyl]-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 95068103
(3R)-2-[(4-chlorophenyl)methyl]-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 50757198) is N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is Cc1cccc(CN2C(=O)c3nc4ccccc4n3CC2(C)C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is DHAUIOAKKDRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-9-8-12-21(15-19)17-31-25(32)24-29-22-13-6-7-14-23(22)30(24)18-27(31,2)26(33)28-16-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3,(H,28,33).
What are the key properties of N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?
N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-[(3-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 50757198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).