(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C27H29N3O3 — CID 41041203

IUPAC(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C27H29N3O3/c1-19-16-23(20(2)29(19)17-22-12-8-5-9-13-22)24(31)18-30-25(32)27(3,28-26(30)33)15-14-21-10-6-4-7-11-21/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyAUOUTAKZWCTXAY-HHHXNRCGSA-N
MW443.55 g/mol
LogP4.28
Rot. Bonds8

About (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 41041203) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID41041203
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C27H29N3O3/c1-19-16-23(20(2)29(19)17-22-12-8-5-9-13-22)24(31)18-30-25(32)27(3,28-26(30)33)15-14-21-10-6-4-7-11-21/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyAUOUTAKZWCTXAY-HHHXNRCGSA-N
XLogP4.28
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170785
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 84601822
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7618955
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8892845
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
(4R)-3'-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41087740
3-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4804597
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 18097294
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 41041203) is (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is AUOUTAKZWCTXAY-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-16-23(20(2)29(19)17-22-12-8-5-9-13-22)24(31)18-30-25(32)27(3,28-26(30)33)15-14-21-10-6-4-7-11-21/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 443.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41041203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).