N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

C26H23N5O3 — CID 41023589

IUPACN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1=O
InChIInChI=1S/C26H23N5O3/c1-3-26(19-10-6-4-7-11-19)24(33)31(25(34)28-26)29-23(32)18-14-15-22-21(16-18)27-17(2)30(22)20-12-8-5-9-13-20/h4-16H,3H2,1-2H3,(H,28,34)(H,29,32)/t26-/m0/s1
InChIKeyJQBOMACYCXQNRH-SANMLTNESA-N
MW453.50 g/mol
LogP3.84
Rot. Bonds5

About N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 41023589) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID41023589
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1=O
InChIInChI=1S/C26H23N5O3/c1-3-26(19-10-6-4-7-11-19)24(33)31(25(34)28-26)29-23(32)18-14-15-22-21(16-18)27-17(2)30(22)20-12-8-5-9-13-20/h4-16H,3H2,1-2H3,(H,28,34)(H,29,32)/t26-/m0/s1
InChIKeyJQBOMACYCXQNRH-SANMLTNESA-N
XLogP3.84
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-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

N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
CID 7603366
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
CID 9293615
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
CID 9294715
4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 9293826
2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide
CID 35984267
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-indole-2-carboxamide
CID 9294420
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290711

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 41023589) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is JQBOMACYCXQNRH-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N5O3/c1-3-26(19-10-6-4-7-11-19)24(33)31(25(34)28-26)29-23(32)18-14-15-22-21(16-18)27-17(2)30(22)20-12-8-5-9-13-20/h4-16H,3H2,1-2H3,(H,28,34)(H,29,32)/t26-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 41023589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).