2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C21H25N5O4 — CID 25334850

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2nccn2C)cc1
InChIInChI=1S/C21H25N5O4/c1-21(14-6-7-14)19(28)26(20(29)24-21)12-16(27)23-17(18-22-10-11-25(18)2)13-4-8-15(30-3)9-5-13/h4-5,8-11,14,17H,6-7,12H2,1-3H3,(H,23,27)(H,24,29)/t17-,21+/m1/s1
InChIKeyLTXJCQSQDIEPSQ-UTKZUKDTSA-N
MW411.46 g/mol
LogP1.35
Rot. Bonds7

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25334850) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25334850
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2nccn2C)cc1
InChIInChI=1S/C21H25N5O4/c1-21(14-6-7-14)19(28)26(20(29)24-21)12-16(27)23-17(18-22-10-11-25(18)2)13-4-8-15(30-3)9-5-13/h4-5,8-11,14,17H,6-7,12H2,1-3H3,(H,23,27)(H,24,29)/t17-,21+/m1/s1
InChIKeyLTXJCQSQDIEPSQ-UTKZUKDTSA-N
XLogP1.35
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.35
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-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25334851
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 78791485
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46530508
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 102564386
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
CID 86867979

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25334850) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2nccn2C)cc1.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is LTXJCQSQDIEPSQ-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-21(14-6-7-14)19(28)26(20(29)24-21)12-16(27)23-17(18-22-10-11-25(18)2)13-4-8-15(30-3)9-5-13/h4-5,8-11,14,17H,6-7,12H2,1-3H3,(H,23,27)(H,24,29)/t17-,21+/m1/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25334850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).