2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol

C13H12F2N2O — CID 156859171

IUPAC2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol
SMILESCn1cncc1-c1cccc2c1C(O)C(F)(F)C2
InChIInChI=1S/C13H12F2N2O/c1-17-7-16-6-10(17)9-4-2-3-8-5-13(14,15)12(18)11(8)9/h2-4,6-7,12,18H,5H2,1H3
InChIKeyWYUWZFUCCMLZSF-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.31
Rot. Bonds1

About 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol

2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol (PubChem CID 156859171) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol
PubChem CID156859171
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol
SMILESCn1cncc1-c1cccc2c1C(O)C(F)(F)C2
InChIInChI=1S/C13H12F2N2O/c1-17-7-16-6-10(17)9-4-2-3-8-5-13(14,15)12(18)11(8)9/h2-4,6-7,12,18H,5H2,1H3
InChIKeyWYUWZFUCCMLZSF-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol?
The IUPAC name of 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol (CID 156859171) is 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol?
The canonical SMILES for 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol is Cn1cncc1-c1cccc2c1C(O)C(F)(F)C2.
What is the InChIKey of 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol?
The InChIKey is WYUWZFUCCMLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-17-7-16-6-10(17)9-4-2-3-8-5-13(14,15)12(18)11(8)9/h2-4,6-7,12,18H,5H2,1H3.
What are the key properties of 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol?
2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol has a molecular weight of 250.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-(3-methylimidazol-4-yl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 156859171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).