3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol

C12H12ClFN2O — CID 116878459

IUPAC3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-10(14)9(6-8)11-7-15-12(16-11)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyYVMNPKUVDKWYFW-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.79
Rot. Bonds4

About 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol

3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 116878459) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID116878459
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-10(14)9(6-8)11-7-15-12(16-11)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyYVMNPKUVDKWYFW-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol 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 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol (CID 116878459) is 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol is OCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1.
What is the InChIKey of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is YVMNPKUVDKWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-8-3-4-10(14)9(6-8)11-7-15-12(16-11)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16).
What are the key properties of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol?
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 254.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 116878459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).