2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

C23H25N5O3 — CID 91639594

IUPAC2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2n1C
InChIInChI=1S/C23H25N5O3/c1-14(2)21-25-17-11-16(9-10-19(17)27(21)3)24-20(29)12-18-22(30)28(23(31)26-18)13-15-7-5-4-6-8-15/h4-11,14,18H,12-13H2,1-3H3,(H,24,29)(H,26,31)/t18-/m0/s1
InChIKeyIDAOHJYRZPVHLA-SFHVURJKSA-N
MW419.49 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 91639594) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID91639594
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2n1C
InChIInChI=1S/C23H25N5O3/c1-14(2)21-25-17-11-16(9-10-19(17)27(21)3)24-20(29)12-18-22(30)28(23(31)26-18)13-15-7-5-4-6-8-15/h4-11,14,18H,12-13H2,1-3H3,(H,24,29)(H,26,31)/t18-/m0/s1
InChIKeyIDAOHJYRZPVHLA-SFHVURJKSA-N
XLogP3.15
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide 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

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71754894
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 46969733
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356866
propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 71825448
propan-2-yl 4-[[2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 75357012

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (CID 91639594) is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is CC(C)c1nc2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2n1C.
What is the InChIKey of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is IDAOHJYRZPVHLA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14(2)21-25-17-11-16(9-10-19(17)27(21)3)24-20(29)12-18-22(30)28(23(31)26-18)13-15-7-5-4-6-8-15/h4-11,14,18H,12-13H2,1-3H3,(H,24,29)(H,26,31)/t18-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 91639594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).