2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol

C17H19N5O — CID 118870059

IUPAC2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1
InChIInChI=1S/C17H19N5O/c23-9-6-17-18-7-8-21(17)11-15-12-22(20-19-15)16-3-1-2-14(10-16)13-4-5-13/h1-3,7-8,10,12-13,23H,4-6,9,11H2
InChIKeyQUXRRGHMYGOPOY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol

2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol (PubChem CID 118870059) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol
PubChem CID118870059
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1
InChIInChI=1S/C17H19N5O/c23-9-6-17-18-7-8-21(17)11-15-12-22(20-19-15)16-3-1-2-14(10-16)13-4-5-13/h1-3,7-8,10,12-13,23H,4-6,9,11H2
InChIKeyQUXRRGHMYGOPOY-UHFFFAOYSA-N
XLogP1.92
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol (CID 118870059) is 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol is OCCc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1.
What is the InChIKey of 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The InChIKey is QUXRRGHMYGOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-9-6-17-18-7-8-21(17)11-15-12-22(20-19-15)16-3-1-2-14(10-16)13-4-5-13/h1-3,7-8,10,12-13,23H,4-6,9,11H2.
What are the key properties of 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol?
2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol has a molecular weight of 309.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(3-cyclopropylphenyl)triazol-4-yl]methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 118870059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).