2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol

C14H11FN2O — CID 81431671

IUPAC2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(18)8-13(12)17-14/h1-6,8,18H,7H2,(H,16,17)
InChIKeyCQHIGGSJOOLOCB-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.00
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol

2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol (PubChem CID 81431671) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
PubChem CID81431671
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H11FN2O/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(18)8-13(12)17-14/h1-6,8,18H,7H2,(H,16,17)
InChIKeyCQHIGGSJOOLOCB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
(E)-3-[4-[[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]methyl]phenyl]prop-2-enoic acid
CID 58740600
1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
CID 81431906
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
CID 51688226
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol (CID 81431671) is 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol is Oc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol?
The InChIKey is CQHIGGSJOOLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-10-3-1-9(2-4-10)7-14-16-12-6-5-11(18)8-13(12)17-14/h1-6,8,18H,7H2,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol?
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol has a molecular weight of 242.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).