2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol

C13H17FN2O — CID 177073307

IUPAC2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
SMILESCC(C)n1c(C(C)(C)O)nc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-8(2)16-10-7-5-6-9(14)11(10)15-12(16)13(3,4)17/h5-8,17H,1-4H3
InChIKeyFEMYXQBVHKGSLG-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol

2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol (PubChem CID 177073307) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
PubChem CID177073307
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
SMILESCC(C)n1c(C(C)(C)O)nc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-8(2)16-10-7-5-6-9(14)11(10)15-12(16)13(3,4)17/h5-8,17H,1-4H3
InChIKeyFEMYXQBVHKGSLG-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine
CID 176685782
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
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-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
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
4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole
CID 177073153
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol (CID 177073307) is 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol is CC(C)n1c(C(C)(C)O)nc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is FEMYXQBVHKGSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(2)16-10-7-5-6-9(14)11(10)15-12(16)13(3,4)17/h5-8,17H,1-4H3.
What are the key properties of 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol?
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 236.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 177073307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).