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

C25H29N3O4 — CID 143398719

IUPAC1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(C3C[C@H]3c3ccccc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H29N3O4/c1-31-23-15-19(9-10-22(23)32-14-13-26-11-5-6-12-26)27-17-24(29)28(25(27)30)21-16-20(21)18-7-3-2-4-8-18/h2-4,7-10,15,20-21H,5-6,11-14,16-17H2,1H3/t20-,21?/m0/s1
InChIKeyVFXFUPXEIDDMSE-BGERDNNASA-N
MW435.52 g/mol
LogP3.49
Rot. Bonds8

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

1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione (PubChem CID 143398719) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
PubChem CID143398719
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(C3C[C@H]3c3ccccc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H29N3O4/c1-31-23-15-19(9-10-22(23)32-14-13-26-11-5-6-12-26)27-17-24(29)28(25(27)30)21-16-20(21)18-7-3-2-4-8-18/h2-4,7-10,15,20-21H,5-6,11-14,16-17H2,1H3/t20-,21?/m0/s1
InChIKeyVFXFUPXEIDDMSE-BGERDNNASA-N
XLogP3.49
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione (CID 143398719) is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione is COc1cc(N2CC(=O)N(C3C[C@H]3c3ccccc3)C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione?
The InChIKey is VFXFUPXEIDDMSE-BGERDNNASA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-23-15-19(9-10-22(23)32-14-13-26-11-5-6-12-26)27-17-24(29)28(25(27)30)21-16-20(21)18-7-3-2-4-8-18/h2-4,7-10,15,20-21H,5-6,11-14,16-17H2,1H3/t20-,21?/m0/s1.
What are the key properties of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione?
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione has a molecular weight of 435.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143398719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).