(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

C27H29N5O2 — CID 31444010

IUPAC(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(c4ccccn4)CC3)C2=O)cc1C
InChIInChI=1S/C27H29N5O2/c1-20-11-12-23(18-21(20)2)27(22-8-4-3-5-9-22)25(33)32(26(34)29-27)19-30-14-16-31(17-15-30)24-10-6-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3,(H,29,34)/t27-/m1/s1
InChIKeyCNOUSDUCDNOJKT-HHHXNRCGSA-N
MW455.56 g/mol
LogP3.27
Rot. Bonds5

About (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 31444010) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID31444010
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(c4ccccn4)CC3)C2=O)cc1C
InChIInChI=1S/C27H29N5O2/c1-20-11-12-23(18-21(20)2)27(22-8-4-3-5-9-22)25(33)32(26(34)29-27)19-30-14-16-31(17-15-30)24-10-6-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3,(H,29,34)/t27-/m1/s1
InChIKeyCNOUSDUCDNOJKT-HHHXNRCGSA-N
XLogP3.27
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 51565929
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
(5R)-5-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 9193313
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30628981
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9291310
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 55511357
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (CID 31444010) is (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(c4ccccn4)CC3)C2=O)cc1C.
What is the InChIKey of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CNOUSDUCDNOJKT-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20-11-12-23(18-21(20)2)27(22-8-4-3-5-9-22)25(33)32(26(34)29-27)19-30-14-16-31(17-15-30)24-10-6-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3,(H,29,34)/t27-/m1/s1.
What are the key properties of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 455.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 31444010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).