1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

C29H31N3O5 — CID 15983080

IUPAC1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCNC1CCCC1
InChIInChI=1S/C29H31N3O5/c1-35-27-19-23(13-16-26(27)36-18-17-30-21-7-5-6-8-21)31-20-28(33)32(29(31)34)22-11-14-25(15-12-22)37-24-9-3-2-4-10-24/h2-4,9-16,19,21,30H,5-8,17-18,20H2,1H3
InChIKeyVCKIQNFLZHGYFX-UHFFFAOYSA-N
MW501.58 g/mol
LogP5.37
Rot. Bonds10

About 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 15983080) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID15983080
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCNC1CCCC1
InChIInChI=1S/C29H31N3O5/c1-35-27-19-23(13-16-26(27)36-18-17-30-21-7-5-6-8-21)31-20-28(33)32(29(31)34)22-11-14-25(15-12-22)37-24-9-3-2-4-10-24/h2-4,9-16,19,21,30H,5-8,17-18,20H2,1H3
InChIKeyVCKIQNFLZHGYFX-UHFFFAOYSA-N
XLogP5.37
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 71218185
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylimidazolidine-2,4-dione
CID 71218006
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 71218001
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
CID 143398719
(3R)-1-[4-(2-cyclopropylethoxy)-3-methoxyphenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 144585819
N-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]cyclopentanamine;oxalic acid
CID 2949000
N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775995
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
2-[2-(2-methoxyphenoxy)ethylamino]cyclohexan-1-ol
CID 60714828
3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 165166892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 15983080) is 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCNC1CCCC1.
What is the InChIKey of 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is VCKIQNFLZHGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-35-27-19-23(13-16-26(27)36-18-17-30-21-7-5-6-8-21)31-20-28(33)32(29(31)34)22-11-14-25(15-12-22)37-24-9-3-2-4-10-24/h2-4,9-16,19,21,30H,5-8,17-18,20H2,1H3.
What are the key properties of 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 501.58 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopentylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15983080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).