2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol

C19H19N3O2 — CID 750368

IUPAC2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2ccc3c(c2)nc(CO)n3C)c1O
InChIInChI=1S/C19H19N3O2/c1-3-5-13-6-4-7-14(19(13)24)11-20-15-8-9-17-16(10-15)21-18(12-23)22(17)2/h3-4,6-11,23-24H,1,5,12H2,2H3/b20-11+
InChIKeyNRQIQKRTVNEVMF-RGVLZGJSSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds5

About 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol

2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol (PubChem CID 750368) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol
PubChem CID750368
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2ccc3c(c2)nc(CO)n3C)c1O
InChIInChI=1S/C19H19N3O2/c1-3-5-13-6-4-7-14(19(13)24)11-20-15-8-9-17-16(10-15)21-18(12-23)22(17)2/h3-4,6-11,23-24H,1,5,12H2,2H3/b20-11+
InChIKeyNRQIQKRTVNEVMF-RGVLZGJSSA-N
XLogP3.25
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol (CID 750368) is 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/c2ccc3c(c2)nc(CO)n3C)c1O.
What is the InChIKey of 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol?
The InChIKey is NRQIQKRTVNEVMF-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-5-13-6-4-7-14(19(13)24)11-20-15-8-9-17-16(10-15)21-18(12-23)22(17)2/h3-4,6-11,23-24H,1,5,12H2,2H3/b20-11+.
What are the key properties of 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol?
2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol has a molecular weight of 321.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 750368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).