4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol

C17H17FN2O — CID 60784171

IUPAC4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
SMILESCC(C)n1c(Cc2ccc(O)cc2)nc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c1-11(2)20-15-5-3-4-14(18)17(15)19-16(20)10-12-6-8-13(21)9-7-12/h3-9,11,21H,10H2,1-2H3
InChIKeyYPNIZGVBCFTVGP-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.05
Rot. Bonds3

About 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol

4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol (PubChem CID 60784171) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
PubChem CID60784171
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
SMILESCC(C)n1c(Cc2ccc(O)cc2)nc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c1-11(2)20-15-5-3-4-14(18)17(15)19-16(20)10-12-6-8-13(21)9-7-12/h3-9,11,21H,10H2,1-2H3
InChIKeyYPNIZGVBCFTVGP-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
2-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 113427889
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol (CID 60784171) is 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol is CC(C)n1c(Cc2ccc(O)cc2)nc2c(F)cccc21.
What is the InChIKey of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is YPNIZGVBCFTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11(2)20-15-5-3-4-14(18)17(15)19-16(20)10-12-6-8-13(21)9-7-12/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 284.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 60784171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).