1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one

C25H32N4O2 — CID 58743859

IUPAC1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one
SMILESCN(C)CCN(C)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1
InChIInChI=1S/C25H32N4O2/c1-26(2)16-17-27(3)20-8-10-21(11-9-20)28-18-19-29(25(28)30)22-12-14-24(15-13-22)31-23-6-4-5-7-23/h8-15,18-19,23H,4-7,16-17H2,1-3H3
InChIKeyXOXNYQBXPACQQI-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.95
Rot. Bonds8

About 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one

1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one (PubChem CID 58743859) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one
PubChem CID58743859
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one
SMILESCN(C)CCN(C)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1
InChIInChI=1S/C25H32N4O2/c1-26(2)16-17-27(3)20-8-10-21(11-9-20)28-18-19-29(25(28)30)22-12-14-24(15-13-22)31-23-6-4-5-7-23/h8-15,18-19,23H,4-7,16-17H2,1-3H3
InChIKeyXOXNYQBXPACQQI-UHFFFAOYSA-N
XLogP3.95
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one (CID 58743859) is 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one is CN(C)CCN(C)c1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one?
The InChIKey is XOXNYQBXPACQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-26(2)16-17-27(3)20-8-10-21(11-9-20)28-18-19-29(25(28)30)22-12-14-24(15-13-22)31-23-6-4-5-7-23/h8-15,18-19,23H,4-7,16-17H2,1-3H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one?
1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.95, 8 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-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one is sourced from PubChem (CID 58743859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).