2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide

C24H23N5O4 — CID 75490431

IUPAC2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C24H23N5O4/c1-28-13-11-25-22(28)21(31)17-8-5-9-18(14-17)26-20(30)15-19-23(32)29(24(33)27-19)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,19H,10,12,15H2,1H3,(H,26,30)(H,27,33)/t19-/m0/s1
InChIKeyJIUBPDBIXVGAOQ-IBGZPJMESA-N
MW445.48 g/mol
LogP2.14
Rot. Bonds8

About 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide

2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide (PubChem CID 75490431) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
PubChem CID75490431
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C24H23N5O4/c1-28-13-11-25-22(28)21(31)17-8-5-9-18(14-17)26-20(30)15-19-23(32)29(24(33)27-19)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,19H,10,12,15H2,1H3,(H,26,30)(H,27,33)/t19-/m0/s1
InChIKeyJIUBPDBIXVGAOQ-IBGZPJMESA-N
XLogP2.14
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125433246
propan-2-yl 4-[[2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 75357012
propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 71825448
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide (CID 75490431) is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide is Cn1ccnc1C(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The InChIKey is JIUBPDBIXVGAOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N5O4/c1-28-13-11-25-22(28)21(31)17-8-5-9-18(14-17)26-20(30)15-19-23(32)29(24(33)27-19)12-10-16-6-3-2-4-7-16/h2-9,11,13-14,19H,10,12,15H2,1H3,(H,26,30)(H,27,33)/t19-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 75490431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).