4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol

C13H14N2O2 — CID 115037686

IUPAC4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc(C3CCC3)[nH]2)cc1O
InChIInChI=1S/C13H14N2O2/c16-11-5-4-9(6-12(11)17)10-7-14-13(15-10)8-2-1-3-8/h4-8,16-17H,1-3H2,(H,14,15)
InChIKeyJWFONRSTNHQLCF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.76
Rot. Bonds2

About 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol

4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol (PubChem CID 115037686) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
PubChem CID115037686
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc(C3CCC3)[nH]2)cc1O
InChIInChI=1S/C13H14N2O2/c16-11-5-4-9(6-12(11)17)10-7-14-13(15-10)8-2-1-3-8/h4-8,16-17H,1-3H2,(H,14,15)
InChIKeyJWFONRSTNHQLCF-UHFFFAOYSA-N
XLogP2.76
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
CID 115036762
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 116881267
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol
CID 115045191
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63047168
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046992
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol (CID 115037686) is 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol is Oc1ccc(-c2cnc(C3CCC3)[nH]2)cc1O.
What is the InChIKey of 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol?
The InChIKey is JWFONRSTNHQLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-5-4-9(6-12(11)17)10-7-14-13(15-10)8-2-1-3-8/h4-8,16-17H,1-3H2,(H,14,15).
What are the key properties of 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol?
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol has a molecular weight of 230.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol is sourced from PubChem (CID 115037686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).