3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

C24H29N3O4 — CID 9403675

IUPAC3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCCCCC3)C2=O)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-11-7-18(8-12-20)24(19-9-13-21(31-2)14-10-19)22(28)27(23(29)25-24)17-26-15-5-3-4-6-16-26/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)
InChIKeyOEGVJTWXKRTTFW-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.33
Rot. Bonds6

About 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione

3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 9403675) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID9403675
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCCCCC3)C2=O)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-11-7-18(8-12-20)24(19-9-13-21(31-2)14-10-19)22(28)27(23(29)25-24)17-26-15-5-3-4-6-16-26/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)
InChIKeyOEGVJTWXKRTTFW-UHFFFAOYSA-N
XLogP3.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.33
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)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2090016
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51448091
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 5369167
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 42984685
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9242043
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5R)-5-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 9193313
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione (CID 9403675) is 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCCCCC3)C2=O)cc1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is OEGVJTWXKRTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-20-11-7-18(8-12-20)24(19-9-13-21(31-2)14-10-19)22(28)27(23(29)25-24)17-26-15-5-3-4-6-16-26/h7-14H,3-6,15-17H2,1-2H3,(H,25,29).
What are the key properties of 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione?
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 423.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9403675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).