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

C14H12N2O — CID 135740402

IUPAC2-(1H-benzimidazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O/c1-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)
InChIKeyDHGDWTMPWISXNH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds1

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

2-(1H-benzimidazol-2-yl)-4-methylphenol (PubChem CID 135740402) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-methylphenol
PubChem CID135740402
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(1H-benzimidazol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O/c1-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)
InChIKeyDHGDWTMPWISXNH-UHFFFAOYSA-N
XLogP3.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methylphenol (CID 135740402) is 2-(1H-benzimidazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-methylphenol is Cc1ccc(O)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-methylphenol?
The InChIKey is DHGDWTMPWISXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-6-7-13(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-methylphenol?
2-(1H-benzimidazol-2-yl)-4-methylphenol has a molecular weight of 224.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-methylphenol is sourced from PubChem (CID 135740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).