3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione

C29H31N3O4 — CID 71218001

IUPAC3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C29H31N3O4/c1-35-27-20-25(13-14-26(27)36-18-17-30-15-5-6-16-30)31-21-28(33)32(29(31)34)24-11-9-23(10-12-24)19-22-7-3-2-4-8-22/h2-4,7-14,20H,5-6,15-19,21H2,1H3
InChIKeyPEWBCKNJWASITI-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.73
Rot. Bonds9

About 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione

3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 71218001) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID71218001
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C29H31N3O4/c1-35-27-20-25(13-14-26(27)36-18-17-30-15-5-6-16-30)31-21-28(33)32(29(31)34)24-11-9-23(10-12-24)19-22-7-3-2-4-8-22/h2-4,7-14,20H,5-6,15-19,21H2,1H3
InChIKeyPEWBCKNJWASITI-UHFFFAOYSA-N
XLogP4.73
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylimidazolidine-2,4-dione
CID 71218006
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
CID 143398719
1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 71218185
1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983080
1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
CID 86198598
4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
CID 91971094
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
7-bromo-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dihydropyrrolo[1,2-a]pyrazin-4-one
CID 67215076
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
acetylene;methanol;1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(4-phenylphenoxy)-2H-pyrrol-5-one
CID 144585868
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 142712871

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione (CID 71218001) is 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione is COc1cc(N2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is PEWBCKNJWASITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-35-27-20-25(13-14-26(27)36-18-17-30-15-5-6-16-30)31-21-28(33)32(29(31)34)24-11-9-23(10-12-24)19-22-7-3-2-4-8-22/h2-4,7-14,20H,5-6,15-19,21H2,1H3.
What are the key properties of 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 485.58 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71218001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).