3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one

C17H23N3O — CID 69137527

IUPAC3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one
SMILESNc1ccc(-n2cc(CCCCC3CCC3)[nH]c2=O)cc1
InChIInChI=1S/C17H23N3O/c18-14-8-10-16(11-9-14)20-12-15(19-17(20)21)7-2-1-4-13-5-3-6-13/h8-13H,1-7,18H2,(H,19,21)
InChIKeyKKDZIWCKCDUITL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.26
Rot. Bonds6

About 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one

3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one (PubChem CID 69137527) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one
PubChem CID69137527
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one
SMILESNc1ccc(-n2cc(CCCCC3CCC3)[nH]c2=O)cc1
InChIInChI=1S/C17H23N3O/c18-14-8-10-16(11-9-14)20-12-15(19-17(20)21)7-2-1-4-13-5-3-6-13/h8-13H,1-7,18H2,(H,19,21)
InChIKeyKKDZIWCKCDUITL-UHFFFAOYSA-N
XLogP3.26
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 122239022
N-[2-[[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-4-[5-(3-cyclohexylpropyl)-2-oxo-1H-imidazol-3-yl]benzenesulfonamide
CID 22471785
5-amino-1-(cyclobutylmethyl)pyridin-2-one
CID 65457574
5-cyclobutylpentylcyclobutane
CID 173228999
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
4-[3-[6-(dimethylamino)hexyl]pyrrolidin-1-yl]aniline;hydroiodide
CID 173073608
5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
CID 90424859
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-butylcyclohexyl]phenyl]methyl]aniline
CID 22316038
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316145

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one (CID 69137527) is 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one is Nc1ccc(-n2cc(CCCCC3CCC3)[nH]c2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one?
The InChIKey is KKDZIWCKCDUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-14-8-10-16(11-9-14)20-12-15(19-17(20)21)7-2-1-4-13-5-3-6-13/h8-13H,1-7,18H2,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one?
3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 69137527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).