1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one

C27H36N4O2 — CID 24829765

IUPAC1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCCN(CC)CCNC1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-3-29(4-2)19-18-28-22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-6-5-7-9-25/h5-9,14-17,20-23,28H,3-4,10-13,18-19H2,1-2H3
InChIKeyUMWUQMPVMDHSQG-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.85
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one

1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one (PubChem CID 24829765) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
PubChem CID24829765
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
SMILESCCN(CC)CCNC1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-3-29(4-2)19-18-28-22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-6-5-7-9-25/h5-9,14-17,20-23,28H,3-4,10-13,18-19H2,1-2H3
InChIKeyUMWUQMPVMDHSQG-UHFFFAOYSA-N
XLogP4.85
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The IUPAC name of 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one (CID 24829765) is 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The canonical SMILES for 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one is CCN(CC)CCNC1CCC(n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
The InChIKey is UMWUQMPVMDHSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-3-29(4-2)19-18-28-22-10-12-23(13-11-22)30-20-21-31(27(30)32)24-14-16-26(17-15-24)33-25-8-6-5-7-9-25/h5-9,14-17,20-23,28H,3-4,10-13,18-19H2,1-2H3.
What are the key properties of 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one?
1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one has a molecular weight of 448.61 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one is sourced from PubChem (CID 24829765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).