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

C27H30N4O3 — CID 45352806

IUPAC5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(C2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc45)CC3)C2=O)c1
InChIInChI=1S/C27H30N4O3/c1-27(22-10-6-11-23(17-22)34-2)25(32)31(26(33)28-27)19-30-15-13-29(14-16-30)18-21-9-5-8-20-7-3-4-12-24(20)21/h3-12,17H,13-16,18-19H2,1-2H3,(H,28,33)
InChIKeyLLBRHMXYXOWQKO-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.39
Rot. Bonds6

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

5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 45352806) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID45352806
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(C2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc45)CC3)C2=O)c1
InChIInChI=1S/C27H30N4O3/c1-27(22-10-6-11-23(17-22)34-2)25(32)31(26(33)28-27)19-30-15-13-29(14-16-30)18-21-9-5-8-20-7-3-4-12-24(20)21/h3-12,17H,13-16,18-19H2,1-2H3,(H,28,33)
InChIKeyLLBRHMXYXOWQKO-UHFFFAOYSA-N
XLogP3.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.39
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-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 22109253
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30961017
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione
CID 9171083
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione
CID 9171085
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 45352806) is 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is COc1cccc(C2(C)NC(=O)N(CN3CCN(Cc4cccc5ccccc45)CC3)C2=O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LLBRHMXYXOWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-27(22-10-6-11-23(17-22)34-2)25(32)31(26(33)28-27)19-30-15-13-29(14-16-30)18-21-9-5-8-20-7-3-4-12-24(20)21/h3-12,17H,13-16,18-19H2,1-2H3,(H,28,33).
What are the key properties of 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 458.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).