2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol

C17H16ClN3O2 — CID 25102382

IUPAC2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(CCO)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-23-14-5-2-12(3-6-14)15-11-21(8-9-22)17(20-15)13-4-7-16(18)19-10-13/h2-7,10-11,22H,8-9H2,1H3
InChIKeyIDAFNURYHMTZGX-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.27
Rot. Bonds5

About 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol

2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol (PubChem CID 25102382) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol
PubChem CID25102382
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(CCO)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-23-14-5-2-12(3-6-14)15-11-21(8-9-22)17(20-15)13-4-7-16(18)19-10-13/h2-7,10-11,22H,8-9H2,1H3
InChIKeyIDAFNURYHMTZGX-UHFFFAOYSA-N
XLogP3.27
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-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-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol (CID 25102382) is 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol is COc1ccc(-c2cn(CCO)c(-c3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol?
The InChIKey is IDAFNURYHMTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-23-14-5-2-12(3-6-14)15-11-21(8-9-22)17(20-15)13-4-7-16(18)19-10-13/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol?
2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol has a molecular weight of 329.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 25102382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).