1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol

C11H17FN2O — CID 123272110

IUPAC1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
SMILESCc1ncc(C2CC2C)n1CC(O)CF
InChIInChI=1S/C11H17FN2O/c1-7-3-10(7)11-5-13-8(2)14(11)6-9(15)4-12/h5,7,9-10,15H,3-4,6H2,1-2H3
InChIKeyCIWPOOABIIRUAX-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.65
Rot. Bonds4

About 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol

1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol (PubChem CID 123272110) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
PubChem CID123272110
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
SMILESCc1ncc(C2CC2C)n1CC(O)CF
InChIInChI=1S/C11H17FN2O/c1-7-3-10(7)11-5-13-8(2)14(11)6-9(15)4-12/h5,7,9-10,15H,3-4,6H2,1-2H3
InChIKeyCIWPOOABIIRUAX-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol (CID 123272110) is 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol is Cc1ncc(C2CC2C)n1CC(O)CF.
What is the InChIKey of 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol?
The InChIKey is CIWPOOABIIRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7-3-10(7)11-5-13-8(2)14(11)6-9(15)4-12/h5,7,9-10,15H,3-4,6H2,1-2H3.
What are the key properties of 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol?
1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 123272110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).