5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

C21H24N4O3 — CID 71520460

IUPAC5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1C1NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C21H24N4O3/c1-28-18-10-6-5-9-17(18)19-20(26)25(21(27)22-19)15-23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,27)
InChIKeySSLUDQQFWOOVQZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.07
Rot. Bonds5

About 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 71520460) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID71520460
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1C1NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C21H24N4O3/c1-28-18-10-6-5-9-17(18)19-20(26)25(21(27)22-19)15-23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,27)
InChIKeySSLUDQQFWOOVQZ-UHFFFAOYSA-N
XLogP2.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.07
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

2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82303598
(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 51565311
ethyl (4S)-4-(2-methoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184427
(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 99781619
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441020
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
ethyl (4S,5R)-4-(2-methoxyphenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 27863764
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
(6R)-6-(3-phenoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazinane-2,4-dione
CID 25409156
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2,6-bis[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
CID 5303094
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (CID 71520460) is 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is COc1ccccc1C1NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is SSLUDQQFWOOVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-18-10-6-5-9-17(18)19-20(26)25(21(27)22-19)15-23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,27).
What are the key properties of 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 380.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).