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

C17H17FN2O — CID 80721603

IUPAC2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c1-2-10-20-14-8-5-7-13(18)17(14)19-16(20)11-12-6-3-4-9-15(12)21/h3-9,21H,2,10-11H2,1H3
InChIKeyNDZXETGBNUWCML-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.88
Rot. Bonds4

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

2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol (PubChem CID 80721603) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
PubChem CID80721603
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2c(F)cccc21
InChIInChI=1S/C17H17FN2O/c1-2-10-20-14-8-5-7-13(18)17(14)19-16(20)11-12-6-3-4-9-15(12)21/h3-9,21H,2,10-11H2,1H3
InChIKeyNDZXETGBNUWCML-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol (CID 80721603) is 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol is CCCn1c(Cc2ccccc2O)nc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is NDZXETGBNUWCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-10-20-14-8-5-7-13(18)17(14)19-16(20)11-12-6-3-4-9-15(12)21/h3-9,21H,2,10-11H2,1H3.
What are the key properties of 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 284.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 80721603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).