3-methyl-2-(4-methylbenzimidazol-1-yl)phenol

C15H14N2O — CID 143995966

IUPAC3-methyl-2-(4-methylbenzimidazol-1-yl)phenol
SMILESCc1cccc(O)c1-n1cnc2c(C)cccc21
InChIInChI=1S/C15H14N2O/c1-10-5-3-7-12-14(10)16-9-17(12)15-11(2)6-4-8-13(15)18/h3-9,18H,1-2H3
InChIKeyCOHQOZFUKLKEOF-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.35
Rot. Bonds1

About 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol

3-methyl-2-(4-methylbenzimidazol-1-yl)phenol (PubChem CID 143995966) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name3-methyl-2-(4-methylbenzimidazol-1-yl)phenol
PubChem CID143995966
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-methyl-2-(4-methylbenzimidazol-1-yl)phenol
SMILESCc1cccc(O)c1-n1cnc2c(C)cccc21
InChIInChI=1S/C15H14N2O/c1-10-5-3-7-12-14(10)16-9-17(12)15-11(2)6-4-8-13(15)18/h3-9,18H,1-2H3
InChIKeyCOHQOZFUKLKEOF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol?
The IUPAC name of 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol (CID 143995966) is 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol.
What is the SMILES notation for 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol?
The canonical SMILES for 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol is Cc1cccc(O)c1-n1cnc2c(C)cccc21.
What is the InChIKey of 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol?
The InChIKey is COHQOZFUKLKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-5-3-7-12-14(10)16-9-17(12)15-11(2)6-4-8-13(15)18/h3-9,18H,1-2H3.
What are the key properties of 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol?
3-methyl-2-(4-methylbenzimidazol-1-yl)phenol has a molecular weight of 238.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylbenzimidazol-1-yl)phenol is sourced from PubChem (CID 143995966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).