3-(1,7-dimethylbenzimidazol-2-yl)phenol

C15H14N2O — CID 81455442

IUPAC3-(1,7-dimethylbenzimidazol-2-yl)phenol
SMILESCc1cccc2nc(-c3cccc(O)c3)n(C)c12
InChIInChI=1S/C15H14N2O/c1-10-5-3-8-13-14(10)17(2)15(16-13)11-6-4-7-12(18)9-11/h3-9,18H,1-2H3
InChIKeyVFLAGYNSOGJBEZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.25
Rot. Bonds1

About 3-(1,7-dimethylbenzimidazol-2-yl)phenol

3-(1,7-dimethylbenzimidazol-2-yl)phenol (PubChem CID 81455442) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1,7-dimethylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1,7-dimethylbenzimidazol-2-yl)phenol
PubChem CID81455442
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-(1,7-dimethylbenzimidazol-2-yl)phenol
SMILESCc1cccc2nc(-c3cccc(O)c3)n(C)c12
InChIInChI=1S/C15H14N2O/c1-10-5-3-8-13-14(10)17(2)15(16-13)11-6-4-7-12(18)9-11/h3-9,18H,1-2H3
InChIKeyVFLAGYNSOGJBEZ-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethylbenzimidazol-2-yl)phenol?
The IUPAC name of 3-(1,7-dimethylbenzimidazol-2-yl)phenol (CID 81455442) is 3-(1,7-dimethylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 3-(1,7-dimethylbenzimidazol-2-yl)phenol?
The canonical SMILES for 3-(1,7-dimethylbenzimidazol-2-yl)phenol is Cc1cccc2nc(-c3cccc(O)c3)n(C)c12.
What is the InChIKey of 3-(1,7-dimethylbenzimidazol-2-yl)phenol?
The InChIKey is VFLAGYNSOGJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-5-3-8-13-14(10)17(2)15(16-13)11-6-4-7-12(18)9-11/h3-9,18H,1-2H3.
What are the key properties of 3-(1,7-dimethylbenzimidazol-2-yl)phenol?
3-(1,7-dimethylbenzimidazol-2-yl)phenol has a molecular weight of 238.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 81455442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).