2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol

C17H25FN2O — CID 176685673

IUPAC2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(C(C)C)=c2[nH]c(C(C)(C)O)nc2=C(F)C1
InChIInChI=1S/C17H25FN2O/c1-9(2)11-7-12(10(3)4)14-15(13(18)8-11)20-16(19-14)17(5,6)21/h7,9-10,21H,8H2,1-6H3,(H,19,20)
InChIKeyIUPUTKGAQPOAOW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.51
Rot. Bonds3

About 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol

2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685673) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685673
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(C(C)C)=c2[nH]c(C(C)(C)O)nc2=C(F)C1
InChIInChI=1S/C17H25FN2O/c1-9(2)11-7-12(10(3)4)14-15(13(18)8-11)20-16(19-14)17(5,6)21/h7,9-10,21H,8H2,1-6H3,(H,19,20)
InChIKeyIUPUTKGAQPOAOW-UHFFFAOYSA-N
XLogP2.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685673) is 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol is CC(C)C1=CC(C(C)C)=c2[nH]c(C(C)(C)O)nc2=C(F)C1.
What is the InChIKey of 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is IUPUTKGAQPOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-9(2)11-7-12(10(3)4)14-15(13(18)8-11)20-16(19-14)17(5,6)21/h7,9-10,21H,8H2,1-6H3,(H,19,20).
What are the key properties of 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).