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

C25H40N4O2 — CID 58906592

IUPAC1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(NCCN(CC)CC)CC3)c2=O)cc1
InChIInChI=1S/C25H40N4O2/c1-4-7-20-31-24-14-12-23(13-15-24)29-19-18-28(25(29)30)22-10-8-21(9-11-22)26-16-17-27(5-2)6-3/h12-15,18-19,21-22,26H,4-11,16-17,20H2,1-3H3
InChIKeyAHZPEYIKMHPBBJ-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.23
Rot. Bonds12

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

1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one (PubChem CID 58906592) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one
PubChem CID58906592
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(NCCN(CC)CC)CC3)c2=O)cc1
InChIInChI=1S/C25H40N4O2/c1-4-7-20-31-24-14-12-23(13-15-24)29-19-18-28(25(29)30)22-10-8-21(9-11-22)26-16-17-27(5-2)6-3/h12-15,18-19,21-22,26H,4-11,16-17,20H2,1-3H3
InChIKeyAHZPEYIKMHPBBJ-UHFFFAOYSA-N
XLogP4.23
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.23
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-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The IUPAC name of 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one (CID 58906592) is 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one is CCCCOc1ccc(-n2ccn(C3CCC(NCCN(CC)CC)CC3)c2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The InChIKey is AHZPEYIKMHPBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-4-7-20-31-24-14-12-23(13-15-24)29-19-18-28(25(29)30)22-10-8-21(9-11-22)26-16-17-27(5-2)6-3/h12-15,18-19,21-22,26H,4-11,16-17,20H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one?
1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one has a molecular weight of 428.62 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one is sourced from PubChem (CID 58906592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).