3H-benzimidazol-5-yl-(4-fluorophenyl)methanol

C14H11FN2O — CID 22927978

IUPAC3H-benzimidazol-5-yl-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-11-4-1-9(2-5-11)14(18)10-3-6-12-13(7-10)17-8-16-12/h1-8,14,18H,(H,16,17)
InChIKeyNECHUHZUYGTQBH-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.78
Rot. Bonds2

About 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol

3H-benzimidazol-5-yl-(4-fluorophenyl)methanol (PubChem CID 22927978) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(4-fluorophenyl)methanol
PubChem CID22927978
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3H-benzimidazol-5-yl-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-11-4-1-9(2-5-11)14(18)10-3-6-12-13(7-10)17-8-16-12/h1-8,14,18H,(H,16,17)
InChIKeyNECHUHZUYGTQBH-UHFFFAOYSA-N
XLogP2.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
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5-(Hydroxymethyl)-1H-benzimidazole
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(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol?
The IUPAC name of 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol (CID 22927978) is 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol.
What is the SMILES notation for 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol?
The canonical SMILES for 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol?
The InChIKey is NECHUHZUYGTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-4-1-9(2-5-11)14(18)10-3-6-12-13(7-10)17-8-16-12/h1-8,14,18H,(H,16,17).
What are the key properties of 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol?
3H-benzimidazol-5-yl-(4-fluorophenyl)methanol has a molecular weight of 242.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(4-fluorophenyl)methanol is sourced from PubChem (CID 22927978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).