2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol

C15H14N2O2 — CID 78908128

IUPAC2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol
SMILESCOc1ccc(-c2nc3c(C)cccc3[nH]2)cc1O
InChIInChI=1S/C15H14N2O2/c1-9-4-3-5-11-14(9)17-15(16-11)10-6-7-13(19-2)12(18)8-10/h3-8,18H,1-2H3,(H,16,17)
InChIKeyNLGSMMKUYWTPKR-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds2

About 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol

2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol (PubChem CID 78908128) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol
PubChem CID78908128
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol
SMILESCOc1ccc(-c2nc3c(C)cccc3[nH]2)cc1O
InChIInChI=1S/C15H14N2O2/c1-9-4-3-5-11-14(9)17-15(16-11)10-6-7-13(19-2)12(18)8-10/h3-8,18H,1-2H3,(H,16,17)
InChIKeyNLGSMMKUYWTPKR-UHFFFAOYSA-N
XLogP3.25
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol (CID 78908128) is 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol is COc1ccc(-c2nc3c(C)cccc3[nH]2)cc1O.
What is the InChIKey of 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is NLGSMMKUYWTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-4-3-5-11-14(9)17-15(16-11)10-6-7-13(19-2)12(18)8-10/h3-8,18H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol?
2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 254.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 78908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).