1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

C24H30N4O3 — CID 10622149

IUPAC1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-18(2)31-22-9-4-3-8-21(22)27-12-10-26(11-13-27)15-19-6-5-7-20(14-19)16-28-17-23(29)25-24(28)30/h3-9,14,18H,10-13,15-17H2,1-2H3,(H,25,29,30)
InChIKeyDUDDEXRMBWFLLN-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.85
Rot. Bonds7

About 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 10622149) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID10622149
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-18(2)31-22-9-4-3-8-21(22)27-12-10-26(11-13-27)15-19-6-5-7-20(14-19)16-28-17-23(29)25-24(28)30/h3-9,14,18H,10-13,15-17H2,1-2H3,(H,25,29,30)
InChIKeyDUDDEXRMBWFLLN-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.85
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-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
5,6-dimethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 44298611
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-acrylamide; oxalic acid
CID 11731962
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
CID 57384073
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 155531753
N-(2-Methoxy-5-methyl-phenyl)-2-(6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 1455749
(E)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide
CID 1936855
N-(2-Ethoxy-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220801
N-(2,6-Dimethyl-phenyl)-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3224951
2-Ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 3227666
N-(2-ethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 6469538

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (CID 10622149) is 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CC(=O)NC3=O)c2)CC1.
What is the InChIKey of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is DUDDEXRMBWFLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18(2)31-22-9-4-3-8-21(22)27-12-10-26(11-13-27)15-19-6-5-7-20(14-19)16-28-17-23(29)25-24(28)30/h3-9,14,18H,10-13,15-17H2,1-2H3,(H,25,29,30).
What are the key properties of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 422.53 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10622149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).