(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine

C17H15N3O2 — CID 6899856

IUPAC(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine
SMILESCc1cc2ncn(/N=C/c3ccc4c(c3)OCO4)c2cc1C
InChIInChI=1S/C17H15N3O2/c1-11-5-14-15(6-12(11)2)20(9-18-14)19-8-13-3-4-16-17(7-13)22-10-21-16/h3-9H,10H2,1-2H3/b19-8+
InChIKeyFNZIIEWEQMRYPZ-UFWORHAWSA-N
MW293.33 g/mol
LogP3.26
Rot. Bonds2

About (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine

(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine (PubChem CID 6899856) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine
PubChem CID6899856
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine
SMILESCc1cc2ncn(/N=C/c3ccc4c(c3)OCO4)c2cc1C
InChIInChI=1S/C17H15N3O2/c1-11-5-14-15(6-12(11)2)20(9-18-14)19-8-13-3-4-16-17(7-13)22-10-21-16/h3-9H,10H2,1-2H3/b19-8+
InChIKeyFNZIIEWEQMRYPZ-UFWORHAWSA-N
XLogP3.26
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine?
The IUPAC name of (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine (CID 6899856) is (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine.
What is the SMILES notation for (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine?
The canonical SMILES for (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine is Cc1cc2ncn(/N=C/c3ccc4c(c3)OCO4)c2cc1C.
What is the InChIKey of (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine?
The InChIKey is FNZIIEWEQMRYPZ-UFWORHAWSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-5-14-15(6-12(11)2)20(9-18-14)19-8-13-3-4-16-17(7-13)22-10-21-16/h3-9H,10H2,1-2H3/b19-8+.
What are the key properties of (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine?
(E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine has a molecular weight of 293.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-benzodioxol-5-yl)-N-(5,6-dimethylbenzimidazol-1-yl)methanimine is sourced from PubChem (CID 6899856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).