2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol

C16H14ClFN2O — CID 136789678

IUPAC2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
SMILESCC(C)n1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21
InChIInChI=1S/C16H14ClFN2O/c1-9(2)20-15-12(17)4-3-5-13(15)19-16(20)11-7-6-10(18)8-14(11)21/h3-9,21H,1-2H3
InChIKeyBXJIWVGFUYQXID-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.78
Rot. Bonds2

About 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol (PubChem CID 136789678) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
PubChem CID136789678
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
SMILESCC(C)n1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21
InChIInChI=1S/C16H14ClFN2O/c1-9(2)20-15-12(17)4-3-5-13(15)19-16(20)11-7-6-10(18)8-14(11)21/h3-9,21H,1-2H3
InChIKeyBXJIWVGFUYQXID-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

2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
CID 136789674
3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 60786771
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324638
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915467
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol?
The IUPAC name of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol (CID 136789678) is 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol is CC(C)n1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol?
The InChIKey is BXJIWVGFUYQXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-9(2)20-15-12(17)4-3-5-13(15)19-16(20)11-7-6-10(18)8-14(11)21/h3-9,21H,1-2H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol?
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol 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 2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol is sourced from PubChem (CID 136789678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).