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

C28H29N3O5 — CID 15982955

IUPAC1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19H,5-6,15-18,20H2,1H3
InChIKeyWTVQMTFZYWXSRS-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.94
Rot. Bonds9

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

1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 15982955) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID15982955
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19H,5-6,15-18,20H2,1H3
InChIKeyWTVQMTFZYWXSRS-UHFFFAOYSA-N
XLogP4.94
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 15982955) is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is WTVQMTFZYWXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19H,5-6,15-18,20H2,1H3.
What are the key properties of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 487.56 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15982955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).