4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

C15H16N2O — CID 776564

IUPAC4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1ccc(O)cc1
InChIInChI=1S/C15H16N2O/c1-16-13-5-3-4-6-14(13)17(2)15(16)11-7-9-12(18)10-8-11/h3-10,15,18H,1-2H3
InChIKeyVGALPIMTLSXPJH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.98
Rot. Bonds1

About 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol

4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (PubChem CID 776564) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
PubChem CID776564
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
SMILESCN1c2ccccc2N(C)C1c1ccc(O)cc1
InChIInChI=1S/C15H16N2O/c1-16-13-5-3-4-6-14(13)17(2)15(16)11-7-9-12(18)10-8-11/h3-10,15,18H,1-2H3
InChIKeyVGALPIMTLSXPJH-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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol (CID 776564) is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The canonical SMILES for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is CN1c2ccccc2N(C)C1c1ccc(O)cc1.
What is the InChIKey of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
The InChIKey is VGALPIMTLSXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-13-5-3-4-6-14(13)17(2)15(16)11-7-9-12(18)10-8-11/h3-10,15,18H,1-2H3.
What are the key properties of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol?
4-(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 4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 776564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).