5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol

C17H15FN2O — CID 60784309

IUPAC5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
SMILESCc1ccc(-c2nc3c(F)cccc3n2C2CC2)cc1O
InChIInChI=1S/C17H15FN2O/c1-10-5-6-11(9-15(10)21)17-19-16-13(18)3-2-4-14(16)20(17)12-7-8-12/h2-6,9,12,21H,7-8H2,1H3
InChIKeyPTUBDZYGCXKHAL-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.19
Rot. Bonds2

About 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol

5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol (PubChem CID 60784309) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
PubChem CID60784309
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
SMILESCc1ccc(-c2nc3c(F)cccc3n2C2CC2)cc1O
InChIInChI=1S/C17H15FN2O/c1-10-5-6-11(9-15(10)21)17-19-16-13(18)3-2-4-14(16)20(17)12-7-8-12/h2-6,9,12,21H,7-8H2,1H3
InChIKeyPTUBDZYGCXKHAL-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol (CID 60784309) is 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol is Cc1ccc(-c2nc3c(F)cccc3n2C2CC2)cc1O.
What is the InChIKey of 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol?
The InChIKey is PTUBDZYGCXKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-5-6-11(9-15(10)21)17-19-16-13(18)3-2-4-14(16)20(17)12-7-8-12/h2-6,9,12,21H,7-8H2,1H3.
What are the key properties of 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol?
5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol has a molecular weight of 282.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 60784309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).