4-(benzimidazol-1-ylmethyl)phenol

C14H12N2O — CID 6498815

IUPAC4-(benzimidazol-1-ylmethyl)phenol
SMILESOc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O/c17-12-7-5-11(6-8-12)9-16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2
InChIKeyJOBBIFQOZQMZPZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.79
Rot. Bonds2

About 4-(benzimidazol-1-ylmethyl)phenol

4-(benzimidazol-1-ylmethyl)phenol (PubChem CID 6498815) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)phenol
PubChem CID6498815
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(benzimidazol-1-ylmethyl)phenol
SMILESOc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O/c17-12-7-5-11(6-8-12)9-16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2
InChIKeyJOBBIFQOZQMZPZ-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
CID 143780945
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
[4-(benzimidazol-1-ylmethyl)phenoxy]-phenylborinic acid
CID 166027355
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
5-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62207288
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine
CID 110926129

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)phenol?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)phenol (CID 6498815) is 4-(benzimidazol-1-ylmethyl)phenol.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)phenol?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)phenol is Oc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)phenol?
The InChIKey is JOBBIFQOZQMZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-12-7-5-11(6-8-12)9-16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2.
What are the key properties of 4-(benzimidazol-1-ylmethyl)phenol?
4-(benzimidazol-1-ylmethyl)phenol has a molecular weight of 224.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)phenol is sourced from PubChem (CID 6498815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).