(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol

C11H11FN2O — CID 142075943

IUPAC(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol
SMILESOC(C1=CC(F)=CC=CC1)c1cnc[nH]1
InChIInChI=1S/C11H11FN2O/c12-9-4-2-1-3-8(5-9)11(15)10-6-13-7-14-10/h1-2,4-7,11,15H,3H2,(H,13,14)
InChIKeyWYFMVWHEYZFZND-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.18
Rot. Bonds2

About (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol

(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol (PubChem CID 142075943) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol
PubChem CID142075943
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol
SMILESOC(C1=CC(F)=CC=CC1)c1cnc[nH]1
InChIInChI=1S/C11H11FN2O/c12-9-4-2-1-3-8(5-9)11(15)10-6-13-7-14-10/h1-2,4-7,11,15H,3H2,(H,13,14)
InChIKeyWYFMVWHEYZFZND-UHFFFAOYSA-N
XLogP2.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)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 (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol?
The IUPAC name of (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol (CID 142075943) is (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol.
What is the SMILES notation for (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol?
The canonical SMILES for (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol is OC(C1=CC(F)=CC=CC1)c1cnc[nH]1.
What is the InChIKey of (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol?
The InChIKey is WYFMVWHEYZFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-4-2-1-3-8(5-9)11(15)10-6-13-7-14-10/h1-2,4-7,11,15H,3H2,(H,13,14).
What are the key properties of (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol?
(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol has a molecular weight of 206.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol is sourced from PubChem (CID 142075943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).