2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol

C15H18N2O3 — CID 154667057

IUPAC2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol
SMILESCOc1cc(-c2nc3c([nH]2)CCCC3)cc(OC)c1O
InChIInChI=1S/C15H18N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h7-8,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyFWLXXMYXVXNWNA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.68
Rot. Bonds3

About 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol

2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol (PubChem CID 154667057) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol
PubChem CID154667057
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol
SMILESCOc1cc(-c2nc3c([nH]2)CCCC3)cc(OC)c1O
InChIInChI=1S/C15H18N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h7-8,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyFWLXXMYXVXNWNA-UHFFFAOYSA-N
XLogP2.68
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol (CID 154667057) is 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol is COc1cc(-c2nc3c([nH]2)CCCC3)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol?
The InChIKey is FWLXXMYXVXNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h7-8,18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol?
2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol has a molecular weight of 274.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 154667057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).