(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol

C17H22N2O — CID 116505404

IUPAC(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H22N2O/c1-2-10-19-12-18-11-16(19)17(20)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,17,20H,2-5,10H2,1H3
InChIKeyKIYIJAQOCWMMDA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.64
Rot. Bonds5

About (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol

(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 116505404) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
PubChem CID116505404
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H22N2O/c1-2-10-19-12-18-11-16(19)17(20)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,17,20H,2-5,10H2,1H3
InChIKeyKIYIJAQOCWMMDA-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol (CID 116505404) is (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is KIYIJAQOCWMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-10-19-12-18-11-16(19)17(20)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,17,20H,2-5,10H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol?
(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 270.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 116505404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).