2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol

C17H17FN2O — CID 80723234

IUPAC2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3
InChIKeyJJOIFFKFOHTBIN-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.88
Rot. Bonds4

About 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol

2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol (PubChem CID 80723234) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
PubChem CID80723234
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3
InChIKeyJJOIFFKFOHTBIN-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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Related Compounds

2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723483
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
CID 79872999
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol (CID 80723234) is 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol is CCCn1c(Cc2ccccc2O)nc2cc(F)ccc21.
What is the InChIKey of 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is JJOIFFKFOHTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3.
What are the key properties of 2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol?
2-[(5-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-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 80723234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).