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

C15H13FN2O — CID 83130766

IUPAC5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
SMILESCn1c(Cc2ccc(F)cc2O)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)8-10-6-7-11(16)9-14(10)19/h2-7,9,19H,8H2,1H3
InChIKeyAKYDJDKIIVBIBA-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.01
Rot. Bonds2

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

5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol (PubChem CID 83130766) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
PubChem CID83130766
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
SMILESCn1c(Cc2ccc(F)cc2O)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)8-10-6-7-11(16)9-14(10)19/h2-7,9,19H,8H2,1H3
InChIKeyAKYDJDKIIVBIBA-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
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130260
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol (CID 83130766) is 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol is Cn1c(Cc2ccc(F)cc2O)nc2ccccc21.
What is the InChIKey of 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is AKYDJDKIIVBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18-13-5-3-2-4-12(13)17-15(18)8-10-6-7-11(16)9-14(10)19/h2-7,9,19H,8H2,1H3.
What are the key properties of 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol?
5-fluoro-2-[(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 5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 83130766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).