4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole

C13H14F2N2O — CID 177073153

IUPAC4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2(F)COC2)nc2c(F)cccc21
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-18-7-13/h3-5,8H,6-7H2,1-2H3
InChIKeyHEEMAQHREFWUFM-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.95
Rot. Bonds2

About 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole

4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole (PubChem CID 177073153) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole
PubChem CID177073153
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2(F)COC2)nc2c(F)cccc21
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-18-7-13/h3-5,8H,6-7H2,1-2H3
InChIKeyHEEMAQHREFWUFM-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole 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-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine
CID 176685782
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
CID 64888050
2-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 113427889
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole (CID 177073153) is 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole is CC(C)n1c(C2(F)COC2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole?
The InChIKey is HEEMAQHREFWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)17-10-5-3-4-9(14)11(10)16-12(17)13(15)6-18-7-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole?
4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole has a molecular weight of 252.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 177073153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).