[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol

C13H16FN3O — CID 170220645

IUPAC[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol
SMILESCC(C)(C)c1ncc(-c2ccnc(CO)c2F)[nH]1
InChIInChI=1S/C13H16FN3O/c1-13(2,3)12-16-6-9(17-12)8-4-5-15-10(7-18)11(8)14/h4-6,18H,7H2,1-3H3,(H,16,17)
InChIKeyDWLPDPBWSQCTSP-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.40
Rot. Bonds2

About [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol

[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol (PubChem CID 170220645) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol
PubChem CID170220645
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol
SMILESCC(C)(C)c1ncc(-c2ccnc(CO)c2F)[nH]1
InChIInChI=1S/C13H16FN3O/c1-13(2,3)12-16-6-9(17-12)8-4-5-15-10(7-18)11(8)14/h4-6,18H,7H2,1-3H3,(H,16,17)
InChIKeyDWLPDPBWSQCTSP-UHFFFAOYSA-N
XLogP2.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol 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 [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol (CID 170220645) is [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol is CC(C)(C)c1ncc(-c2ccnc(CO)c2F)[nH]1.
What is the InChIKey of [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol?
The InChIKey is DWLPDPBWSQCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,3)12-16-6-9(17-12)8-4-5-15-10(7-18)11(8)14/h4-6,18H,7H2,1-3H3,(H,16,17).
What are the key properties of [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol?
[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol has a molecular weight of 249.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 170220645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).