2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

C15H16N2O — CID 789497

IUPAC2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1ccccc1O
InChIInChI=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3
InChIKeyNNENGKYNKIWEEY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.98
Rot. Bonds1

About 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (PubChem CID 789497) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
PubChem CID789497
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1ccccc1O
InChIInChI=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3
InChIKeyNNENGKYNKIWEEY-UHFFFAOYSA-N
XLogP2.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (CID 789497) is 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is CN1c2ccccc2N(C)C1c1ccccc1O.
What is the InChIKey of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The InChIKey is NNENGKYNKIWEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3.
What are the key properties of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol has a molecular weight of 240.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 789497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).