2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol

C18H19N3O — CID 889915

IUPAC2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(CNc2nc3ccccc3n2C)c1O
InChIInChI=1S/C18H19N3O/c1-3-7-13-8-6-9-14(17(13)22)12-19-18-20-15-10-4-5-11-16(15)21(18)2/h3-6,8-11,22H,1,7,12H2,2H3,(H,19,20)
InChIKeyMBHLTSFTHVNZHP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

About 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol

2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol (PubChem CID 889915) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
PubChem CID889915
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(CNc2nc3ccccc3n2C)c1O
InChIInChI=1S/C18H19N3O/c1-3-7-13-8-6-9-14(17(13)22)12-19-18-20-15-10-4-5-11-16(15)21(18)2/h3-6,8-11,22H,1,7,12H2,2H3,(H,19,20)
InChIKeyMBHLTSFTHVNZHP-UHFFFAOYSA-N
XLogP3.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol (CID 889915) is 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol is C=CCc1cccc(CNc2nc3ccccc3n2C)c1O.
What is the InChIKey of 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol?
The InChIKey is MBHLTSFTHVNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-7-13-8-6-9-14(17(13)22)12-19-18-20-15-10-4-5-11-16(15)21(18)2/h3-6,8-11,22H,1,7,12H2,2H3,(H,19,20).
What are the key properties of 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol?
2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol has a molecular weight of 293.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol is sourced from PubChem (CID 889915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).