(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C12H12N6 — CID 5341215

IUPAC(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c(/C=N/n2cnnc2)nc2ccccc21
InChIInChI=1S/C12H12N6/c1-2-18-11-6-4-3-5-10(11)16-12(18)7-15-17-8-13-14-9-17/h3-9H,2H2,1H3/b15-7+
InChIKeySUXAEUUHEMWNQY-VIZOYTHASA-N
MW240.27 g/mol
LogP1.53
Rot. Bonds3

About (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5341215) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5341215
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c(/C=N/n2cnnc2)nc2ccccc21
InChIInChI=1S/C12H12N6/c1-2-18-11-6-4-3-5-10(11)16-12(18)7-15-17-8-13-14-9-17/h3-9H,2H2,1H3/b15-7+
InChIKeySUXAEUUHEMWNQY-VIZOYTHASA-N
XLogP1.53
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5341215) is (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCn1c(/C=N/n2cnnc2)nc2ccccc21.
What is the InChIKey of (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is SUXAEUUHEMWNQY-VIZOYTHASA-N. The full InChI is InChI=1S/C12H12N6/c1-2-18-11-6-4-3-5-10(11)16-12(18)7-15-17-8-13-14-9-17/h3-9H,2H2,1H3/b15-7+.
What are the key properties of (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 240.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-ethylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5341215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).