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

C15H13FN2O — CID 83130260

IUPAC2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol
SMILESCn1c(Cc2ccc(O)c(F)c2)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)9-10-6-7-14(19)11(16)8-10/h2-8,19H,9H2,1H3
InChIKeyICSVRDMLCNEARH-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.01
Rot. Bonds2

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

2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol (PubChem CID 83130260) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol
PubChem CID83130260
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol
SMILESCn1c(Cc2ccc(O)c(F)c2)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)9-10-6-7-14(19)11(16)8-10/h2-8,19H,9H2,1H3
InChIKeyICSVRDMLCNEARH-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one
CID 83130157
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol (CID 83130260) is 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol is Cn1c(Cc2ccc(O)c(F)c2)nc2ccccc21.
What is the InChIKey of 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is ICSVRDMLCNEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)9-10-6-7-14(19)11(16)8-10/h2-8,19H,9H2,1H3.
What are the key properties of 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol?
2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 256.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 83130260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).