1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one

C32H31N3O4 — CID 91052366

IUPAC1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCOc1cccc(C(C)NCCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)c1
InChIInChI=1S/C32H31N3O4/c1-24(25-7-6-10-31(23-25)37-2)33-19-22-38-28-15-11-26(12-16-28)34-20-21-35(32(34)36)27-13-17-30(18-14-27)39-29-8-4-3-5-9-29/h3-18,20-21,23-24,33H,19,22H2,1-2H3
InChIKeyCUXXSWWLDDNWKI-UHFFFAOYSA-N
MW521.62 g/mol
LogP6.16
Rot. Bonds11

About 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one

1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one (PubChem CID 91052366) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one
PubChem CID91052366
Molecular FormulaC32H31N3O4
Molecular Weight521.62 g/mol
Exact Mass521.23
IUPAC Name1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCOc1cccc(C(C)NCCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)c1
InChIInChI=1S/C32H31N3O4/c1-24(25-7-6-10-31(23-25)37-2)33-19-22-38-28-15-11-26(12-16-28)34-20-21-35(32(34)36)27-13-17-30(18-14-27)39-29-8-4-3-5-9-29/h3-18,20-21,23-24,33H,19,22H2,1-2H3
InChIKeyCUXXSWWLDDNWKI-UHFFFAOYSA-N
XLogP6.16
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 51369909
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The IUPAC name of 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one (CID 91052366) is 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one.
What is the SMILES notation for 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The canonical SMILES for 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one is COc1cccc(C(C)NCCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)c1.
What is the InChIKey of 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The InChIKey is CUXXSWWLDDNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4/c1-24(25-7-6-10-31(23-25)37-2)33-19-22-38-28-15-11-26(12-16-28)34-20-21-35(32(34)36)27-13-17-30(18-14-27)39-29-8-4-3-5-9-29/h3-18,20-21,23-24,33H,19,22H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one?
1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one has a molecular weight of 521.62 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(3-methoxyphenyl)ethylamino]ethoxy]phenyl]-3-(4-phenoxyphenyl)imidazol-2-one is sourced from PubChem (CID 91052366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).