[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

C20H22ClN4O3+ — CID 8598409

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/p+1/t13-,20+/m1/s1
InChIKeyGNWUGIZRUDTYRV-XCLFUZPHSA-O
MW401.87 g/mol
LogP1.46
Rot. Bonds6

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (PubChem CID 8598409) has the molecular formula C20H22ClN4O3+ and a molecular weight of 401.87 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
PubChem CID8598409
Molecular FormulaC20H22ClN4O3+
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/p+1/t13-,20+/m1/s1
InChIKeyGNWUGIZRUDTYRV-XCLFUZPHSA-O
XLogP1.46
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598410
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598407
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8638123
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8992473
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
2-(2-chlorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55342591
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8922679
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913046

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (CID 8598409) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?
The InChIKey is GNWUGIZRUDTYRV-XCLFUZPHSA-O. The full InChI is InChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/p+1/t13-,20+/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium has a molecular weight of 401.87 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).