2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol

C16H15N3O — CID 136895024

IUPAC2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(C2CCC2)[nH]c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C16H15N3O/c20-16-14(18-15(19-16)10-4-3-5-10)8-11-9-17-13-7-2-1-6-12(11)13/h1-2,6-10,20H,3-5H2,(H,18,19)/b11-8+
InChIKeyOBFJKKFURBUESS-DHZHZOJOSA-N
MW265.32 g/mol
LogP3.64
Rot. Bonds2

About 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol

2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 136895024) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID136895024
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(C2CCC2)[nH]c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C16H15N3O/c20-16-14(18-15(19-16)10-4-3-5-10)8-11-9-17-13-7-2-1-6-12(11)13/h1-2,6-10,20H,3-5H2,(H,18,19)/b11-8+
InChIKeyOBFJKKFURBUESS-DHZHZOJOSA-N
XLogP3.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-indol-3-ylidenemethyl]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-4-ol
CID 136895019
4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde
CID 155354592
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
2-cyclopentyl-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439270
5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
CID 79434090
2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol
CID 135464118
2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 65429882
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
CID 135432741
1-(2-fluorophenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1134749
5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439110
5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one
CID 1386732

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol (CID 136895024) is 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(C2CCC2)[nH]c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is OBFJKKFURBUESS-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-14(18-15(19-16)10-4-3-5-10)8-11-9-17-13-7-2-1-6-12(11)13/h1-2,6-10,20H,3-5H2,(H,18,19)/b11-8+.
What are the key properties of 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol?
2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 265.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 136895024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).