2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol

C18H20N2O — CID 722740

IUPAC2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2N(C)c3ccccc3N2C)c1O
InChIInChI=1S/C18H20N2O/c1-4-8-13-9-7-10-14(17(13)21)18-19(2)15-11-5-6-12-16(15)20(18)3/h4-7,9-12,18,21H,1,8H2,2-3H3
InChIKeySQGBIEBHZJWTFB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.71
Rot. Bonds3

About 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol

2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol (PubChem CID 722740) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol
PubChem CID722740
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2N(C)c3ccccc3N2C)c1O
InChIInChI=1S/C18H20N2O/c1-4-8-13-9-7-10-14(17(13)21)18-19(2)15-11-5-6-12-16(15)20(18)3/h4-7,9-12,18,21H,1,8H2,2-3H3
InChIKeySQGBIEBHZJWTFB-UHFFFAOYSA-N
XLogP3.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol?
The IUPAC name of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol (CID 722740) is 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol.
What is the SMILES notation for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol?
The canonical SMILES for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol is C=CCc1cccc(C2N(C)c3ccccc3N2C)c1O.
What is the InChIKey of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol?
The InChIKey is SQGBIEBHZJWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-8-13-9-7-10-14(17(13)21)18-19(2)15-11-5-6-12-16(15)20(18)3/h4-7,9-12,18,21H,1,8H2,2-3H3.
What are the key properties of 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol?
2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol has a molecular weight of 280.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-prop-2-enylphenol is sourced from PubChem (CID 722740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).