(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide

C24H30N6O3 — CID 124972580

IUPAC(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C24H30N6O3/c1-25-23(32)21-15-29(14-17-7-5-4-6-8-17)11-12-30(21)16-22(31)26-18-9-10-19-20(13-18)28(3)24(33)27(19)2/h4-10,13,21H,11-12,14-16H2,1-3H3,(H,25,32)(H,26,31)/t21-/m0/s1
InChIKeyKEENWFJTDFYRDX-NRFANRHFSA-N
MW450.54 g/mol
LogP0.75
Rot. Bonds6

About (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide

(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide (PubChem CID 124972580) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
PubChem CID124972580
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C24H30N6O3/c1-25-23(32)21-15-29(14-17-7-5-4-6-8-17)11-12-30(21)16-22(31)26-18-9-10-19-20(13-18)28(3)24(33)27(19)2/h4-10,13,21H,11-12,14-16H2,1-3H3,(H,25,32)(H,26,31)/t21-/m0/s1
InChIKeyKEENWFJTDFYRDX-NRFANRHFSA-N
XLogP0.75
TPSA91.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
CID 125016570
(2S)-4-benzyl-N-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazine-2-carboxamide
CID 124963276
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124990413
(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125005444
2-[(3aS,9aS)-4-benzyl-3a-methyl-5-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110076415
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 124957917
4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981076
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide (CID 124972580) is (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is KEENWFJTDFYRDX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-25-23(32)21-15-29(14-17-7-5-4-6-8-17)11-12-30(21)16-22(31)26-18-9-10-19-20(13-18)28(3)24(33)27(19)2/h4-10,13,21H,11-12,14-16H2,1-3H3,(H,25,32)(H,26,31)/t21-/m0/s1.
What are the key properties of (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124972580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).