1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol

C17H22N2O — CID 66139864

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cncn2C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-12(2)14-5-3-13(4-6-14)9-17(20)16-10-18-11-19(16)15-7-8-15/h3-6,10-12,15,17,20H,7-9H2,1-2H3
InChIKeyJYRMHKIHGPYCRC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol

1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 66139864) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID66139864
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cncn2C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-12(2)14-5-3-13(4-6-14)9-17(20)16-10-18-11-19(16)15-7-8-15/h3-6,10-12,15,17,20H,7-9H2,1-2H3
InChIKeyJYRMHKIHGPYCRC-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 66139864) is 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2cncn2C2CC2)cc1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is JYRMHKIHGPYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)14-5-3-13(4-6-14)9-17(20)16-10-18-11-19(16)15-7-8-15/h3-6,10-12,15,17,20H,7-9H2,1-2H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 66139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).