2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

C17H23F3N2O — CID 176685600

IUPAC2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C(C)C(F)F)c2=CC1
InChIInChI=1S/C17H23F3N2O/c1-9(2)11-6-7-13-14(12(18)8-11)21-16(17(4,5)23)22(13)10(3)15(19)20/h7-10,15,23H,6H2,1-5H3
InChIKeyYXVUICJEUBAONC-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685600) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685600
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C(C)C(F)F)c2=CC1
InChIInChI=1S/C17H23F3N2O/c1-9(2)11-6-7-13-14(12(18)8-11)21-16(17(4,5)23)22(13)10(3)15(19)20/h7-10,15,23H,6H2,1-5H3
InChIKeyYXVUICJEUBAONC-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685450
2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685662
2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685667
2-[8-Fluoro-4,6-di(propan-2-yl)-3,7-dihydrocyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685673
2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685600) is 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is CC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C(C)C(F)F)c2=CC1.
What is the InChIKey of 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is YXVUICJEUBAONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-9(2)11-6-7-13-14(12(18)8-11)21-16(17(4,5)23)22(13)10(3)15(19)20/h7-10,15,23H,6H2,1-5H3.
What are the key properties of 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 328.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).