1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one

C25H29N3O3 — CID 10454770

IUPAC1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one
SMILESO=c1n(-c2ccc(OCCNC3CC3)cc2)ccn1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-25-27(20-7-11-22(12-8-20)30-18-15-26-19-5-6-19)16-17-28(25)21-9-13-24(14-10-21)31-23-3-1-2-4-23/h7-14,16-17,19,23,26H,1-6,15,18H2
InChIKeyQLAUHCXINRSOKI-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.08
Rot. Bonds9

About 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one

1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one (PubChem CID 10454770) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one
PubChem CID10454770
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one
SMILESO=c1n(-c2ccc(OCCNC3CC3)cc2)ccn1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-25-27(20-7-11-22(12-8-20)30-18-15-26-19-5-6-19)16-17-28(25)21-9-13-24(14-10-21)31-23-3-1-2-4-23/h7-14,16-17,19,23,26H,1-6,15,18H2
InChIKeyQLAUHCXINRSOKI-UHFFFAOYSA-N
XLogP4.08
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one (CID 10454770) is 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one is O=c1n(-c2ccc(OCCNC3CC3)cc2)ccn1-c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one?
The InChIKey is QLAUHCXINRSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-25-27(20-7-11-22(12-8-20)30-18-15-26-19-5-6-19)16-17-28(25)21-9-13-24(14-10-21)31-23-3-1-2-4-23/h7-14,16-17,19,23,26H,1-6,15,18H2.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one?
1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one has a molecular weight of 419.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one is sourced from PubChem (CID 10454770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).