(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione

C27H22N4O4 — CID 27723530

IUPAC(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O
InChIInChI=1S/C27H22N4O4/c1-27(20-12-13-22-23(14-20)35-17-34-22)25(32)30(26(33)28-27)15-19-16-31(21-10-6-3-7-11-21)29-24(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,28,33)/t27-/m1/s1
InChIKeyRGSQJIZCNZPSKV-HHHXNRCGSA-N
MW466.50 g/mol
LogP4.24
Rot. Bonds5

About (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 27723530) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID27723530
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O
InChIInChI=1S/C27H22N4O4/c1-27(20-12-13-22-23(14-20)35-17-34-22)25(32)30(26(33)28-27)15-19-16-31(21-10-6-3-7-11-21)29-24(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,28,33)/t27-/m1/s1
InChIKeyRGSQJIZCNZPSKV-HHHXNRCGSA-N
XLogP4.24
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]imidazolidine-2,4-dione
CID 16610811
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
(5R)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 7832864
(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40895481
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7691995
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 126829801
(5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 40792067

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 27723530) is (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is RGSQJIZCNZPSKV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-27(20-12-13-22-23(14-20)35-17-34-22)25(32)30(26(33)28-27)15-19-16-31(21-10-6-3-7-11-21)29-24(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 466.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 27723530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).