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

C23H36N4O2 — CID 58906605

IUPAC1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(NCCN(C)C)CC3)c2=O)cc1
InChIInChI=1S/C23H36N4O2/c1-4-5-18-29-22-12-10-21(11-13-22)27-17-16-26(23(27)28)20-8-6-19(7-9-20)24-14-15-25(2)3/h10-13,16-17,19-20,24H,4-9,14-15,18H2,1-3H3
InChIKeyPWPJZUISNFYSTD-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.45
Rot. Bonds10

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

1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one (PubChem CID 58906605) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one
PubChem CID58906605
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one
SMILESCCCCOc1ccc(-n2ccn(C3CCC(NCCN(C)C)CC3)c2=O)cc1
InChIInChI=1S/C23H36N4O2/c1-4-5-18-29-22-12-10-21(11-13-22)27-17-16-26(23(27)28)20-8-6-19(7-9-20)24-14-15-25(2)3/h10-13,16-17,19-20,24H,4-9,14-15,18H2,1-3H3
InChIKeyPWPJZUISNFYSTD-UHFFFAOYSA-N
XLogP3.45
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.45
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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Related Compounds

1-(4-butoxyphenyl)-3-[4-[2-(diethylamino)ethylamino]cyclohexyl]imidazol-2-one
CID 58906592
1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
CID 24829765
1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one
CID 143081431
1-(4-butoxyphenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]imidazol-2-one
CID 58906622
1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
CID 24829930
1-(4-cyclopentyloxyphenyl)-3-[4-[2-(cyclopropylamino)ethoxy]phenyl]imidazol-2-one
CID 10454770
1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032966
1-(4-butoxyphenyl)-3-[4-[1-(dimethylamino)propan-2-ylamino]cyclohexyl]imidazolidin-2-one
CID 163760545
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
1-(4-cyclopentyloxyphenyl)-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]imidazol-2-one
CID 58743859
N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
CID 58906651

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The IUPAC name of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one (CID 58906605) is 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one is CCCCOc1ccc(-n2ccn(C3CCC(NCCN(C)C)CC3)c2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one?
The InChIKey is PWPJZUISNFYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-4-5-18-29-22-12-10-21(11-13-22)27-17-16-26(23(27)28)20-8-6-19(7-9-20)24-14-15-25(2)3/h10-13,16-17,19-20,24H,4-9,14-15,18H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one?
1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one has a molecular weight of 400.57 g/mol, XLogP of 3.45, 10 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-(dimethylamino)ethylamino]cyclohexyl]imidazol-2-one is sourced from PubChem (CID 58906605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).