1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one

C27H36N4O2 — CID 24829930

IUPAC1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCN(C)CCCN(C)C1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-28(2)18-7-19-29(3)22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-5-4-6-9-25/h4-6,8-9,14-17,20-23H,7,10-13,18-19H2,1-3H3
InChIKeyJTWJMBWHLACHNH-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.80
Rot. Bonds9

About 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one

1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one (PubChem CID 24829930) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
PubChem CID24829930
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCN(C)CCCN(C)C1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-28(2)18-7-19-29(3)22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-5-4-6-9-25/h4-6,8-9,14-17,20-23H,7,10-13,18-19H2,1-3H3
InChIKeyJTWJMBWHLACHNH-UHFFFAOYSA-N
XLogP4.80
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)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-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The IUPAC name of 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one (CID 24829930) is 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The canonical SMILES for 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one is CN(C)CCCN(C)C1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The InChIKey is JTWJMBWHLACHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-28(2)18-7-19-29(3)22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-5-4-6-9-25/h4-6,8-9,14-17,20-23H,7,10-13,18-19H2,1-3H3.
What are the key properties of 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one has a molecular weight of 448.61 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one is sourced from PubChem (CID 24829930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).