4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

C16H14ClFN2O — CID 106502342

IUPAC4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cc(O)ccc2Cl)nc2ccc(F)cc21
InChIInChI=1S/C16H14ClFN2O/c1-9(2)20-15-7-10(18)3-6-14(15)19-16(20)12-8-11(21)4-5-13(12)17/h3-9,21H,1-2H3
InChIKeyWHPLBDSNJJEFRB-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 106502342) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID106502342
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cc(O)ccc2Cl)nc2ccc(F)cc21
InChIInChI=1S/C16H14ClFN2O/c1-9(2)20-15-7-10(18)3-6-14(15)19-16(20)12-8-11(21)4-5-13(12)17/h3-9,21H,1-2H3
InChIKeyWHPLBDSNJJEFRB-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
2-[3-(chloromethyl)phenyl]-6-fluoro-1-propan-2-ylbenzimidazole
CID 63539997
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (CID 106502342) is 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2cc(O)ccc2Cl)nc2ccc(F)cc21.
What is the InChIKey of 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is WHPLBDSNJJEFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-9(2)20-15-7-10(18)3-6-14(15)19-16(20)12-8-11(21)4-5-13(12)17/h3-9,21H,1-2H3.
What are the key properties of 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol has a molecular weight of 304.75 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 106502342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).