5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol

C14H15FN2O — CID 116531621

IUPAC5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1ccnc1CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O/c1-17-7-6-16-13(17)9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyGVSWMIOXWRMTKA-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.94
Rot. Bonds2

About 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol

5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 116531621) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID116531621
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1ccnc1CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O/c1-17-7-6-16-13(17)9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyGVSWMIOXWRMTKA-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol (CID 116531621) is 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is Cn1ccnc1CC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is GVSWMIOXWRMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17-7-6-16-13(17)9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,6-8,18H,4-5,9H2,1H3.
What are the key properties of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol?
5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 246.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).