1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one

C26H38N4O2 — CID 58906663

IUPAC1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one
SMILESCN(C)C1CCN(C2CCC(n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)CC2)C1
InChIInChI=1S/C26H38N4O2/c1-27(2)23-15-16-28(19-23)20-7-9-21(10-8-20)29-17-18-30(26(29)31)22-11-13-25(14-12-22)32-24-5-3-4-6-24/h11-14,17-18,20-21,23-24H,3-10,15-16,19H2,1-2H3
InChIKeyKXXQAVQMKXPOLD-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.08
Rot. Bonds6

About 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one

1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one (PubChem CID 58906663) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one
PubChem CID58906663
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one
SMILESCN(C)C1CCN(C2CCC(n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)CC2)C1
InChIInChI=1S/C26H38N4O2/c1-27(2)23-15-16-28(19-23)20-7-9-21(10-8-20)29-17-18-30(26(29)31)22-11-13-25(14-12-22)32-24-5-3-4-6-24/h11-14,17-18,20-21,23-24H,3-10,15-16,19H2,1-2H3
InChIKeyKXXQAVQMKXPOLD-UHFFFAOYSA-N
XLogP4.08
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one (CID 58906663) is 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one is CN(C)C1CCN(C2CCC(n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)CC2)C1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one?
The InChIKey is KXXQAVQMKXPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-27(2)23-15-16-28(19-23)20-7-9-21(10-8-20)29-17-18-30(26(29)31)22-11-13-25(14-12-22)32-24-5-3-4-6-24/h11-14,17-18,20-21,23-24H,3-10,15-16,19H2,1-2H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one?
1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one has a molecular weight of 438.62 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one is sourced from PubChem (CID 58906663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).