3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide

C19H22N4O3 — CID 124861231

IUPAC3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCn1cccc1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H22N4O3/c1-22-11-5-8-15(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-14-6-3-2-4-7-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,24)(H,21,26)/t16-/m1/s1
InChIKeyGXCXZBUPKYRDTD-MRXNPFEDSA-N
MW354.41 g/mol
LogP1.54
Rot. Bonds7

About 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide

3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide (PubChem CID 124861231) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
PubChem CID124861231
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCn1cccc1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H22N4O3/c1-22-11-5-8-15(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-14-6-3-2-4-7-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,24)(H,21,26)/t16-/m1/s1
InChIKeyGXCXZBUPKYRDTD-MRXNPFEDSA-N
XLogP1.54
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 91823348
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 75489265
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 124863370
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 124861449
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide (CID 124861231) is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide is Cn1cccc1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The InChIKey is GXCXZBUPKYRDTD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-11-5-8-15(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-14-6-3-2-4-7-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,20,24)(H,21,26)/t16-/m1/s1.
What are the key properties of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 124861231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).