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

C17H25FN2O — CID 176685667

IUPAC2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C1
InChIInChI=1S/C17H25FN2O/c1-10(2)12-7-8-14-15(13(18)9-12)19-16(17(5,6)21)20(14)11(3)4/h7-8,10-11,21H,9H2,1-6H3
InChIKeyBMLUZSMMWVFYTB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.54
Rot. Bonds3

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

2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685667) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685667
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C1
InChIInChI=1S/C17H25FN2O/c1-10(2)12-7-8-14-15(13(18)9-12)19-16(17(5,6)21)20(14)11(3)4/h7-8,10-11,21H,9H2,1-6H3
InChIKeyBMLUZSMMWVFYTB-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685424
2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685450
2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685600
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-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
ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685423

Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685667) is 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is CC(C)C1=CC=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C1.
What is the InChIKey of 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is BMLUZSMMWVFYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-10(2)12-7-8-14-15(13(18)9-12)19-16(17(5,6)21)20(14)11(3)4/h7-8,10-11,21H,9H2,1-6H3.
What are the key properties of 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).