2-(1H-benzimidazol-2-yl)-4-methoxyphenol

C14H12N2O2 — CID 135463022

IUPAC2-(1H-benzimidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O2/c1-18-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)
InChIKeyYJYMLUYANKFMAK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-4-methoxyphenol

2-(1H-benzimidazol-2-yl)-4-methoxyphenol (PubChem CID 135463022) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-methoxyphenol
PubChem CID135463022
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(1H-benzimidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O2/c1-18-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)
InChIKeyYJYMLUYANKFMAK-UHFFFAOYSA-N
XLogP2.94
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol
CID 135470369
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methoxyphenol (CID 135463022) is 2-(1H-benzimidazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-methoxyphenol?
The InChIKey is YJYMLUYANKFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-methoxyphenol?
2-(1H-benzimidazol-2-yl)-4-methoxyphenol has a molecular weight of 240.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 135463022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).