5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol

C16H18N2O2 — CID 914373

IUPAC5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
SMILESCOc1ccc(C2N(C)c3ccccc3N2C)cc1O
InChIInChI=1S/C16H18N2O2/c1-17-12-6-4-5-7-13(12)18(2)16(17)11-8-9-15(20-3)14(19)10-11/h4-10,16,19H,1-3H3
InChIKeyNHPOGBRARFHXDR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds2

About 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol

5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol (PubChem CID 914373) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
PubChem CID914373
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
SMILESCOc1ccc(C2N(C)c3ccccc3N2C)cc1O
InChIInChI=1S/C16H18N2O2/c1-17-12-6-4-5-7-13(12)18(2)16(17)11-8-9-15(20-3)14(19)10-11/h4-10,16,19H,1-3H3
InChIKeyNHPOGBRARFHXDR-UHFFFAOYSA-N
XLogP2.99
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol?
The IUPAC name of 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol (CID 914373) is 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol is COc1ccc(C2N(C)c3ccccc3N2C)cc1O.
What is the InChIKey of 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol?
The InChIKey is NHPOGBRARFHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-12-6-4-5-7-13(12)18(2)16(17)11-8-9-15(20-3)14(19)10-11/h4-10,16,19H,1-3H3.
What are the key properties of 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol?
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol has a molecular weight of 270.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 914373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).