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

C20H29FN2O — CID 176685450

IUPAC2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C3CCCC3C)c2=CC1
InChIInChI=1S/C20H29FN2O/c1-12(2)14-9-10-17-18(15(21)11-14)22-19(20(4,5)24)23(17)16-8-6-7-13(16)3/h10-13,16,24H,6-9H2,1-5H3
InChIKeyWJXGBRRXXCBZSD-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.32
Rot. Bonds3

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

2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685450) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685450
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C3CCCC3C)c2=CC1
InChIInChI=1S/C20H29FN2O/c1-12(2)14-9-10-17-18(15(21)11-14)22-19(20(4,5)24)23(17)16-8-6-7-13(16)3/h10-13,16,24H,6-9H2,1-5H3
InChIKeyWJXGBRRXXCBZSD-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-fluoro-1-(2-methylcyclopentyl)-6-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-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685600
2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685667

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685450) is 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-fluoro-1-(2-methylcyclopentyl)-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(C3CCCC3C)c2=CC1.
What is the InChIKey of 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is WJXGBRRXXCBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-12(2)14-9-10-17-18(15(21)11-14)22-19(20(4,5)24)23(17)16-8-6-7-13(16)3/h10-13,16,24H,6-9H2,1-5H3.
What are the key properties of 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 332.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-(2-methylcyclopentyl)-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).