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

C11H10N6 — CID 6858809

IUPAC(E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCn1c(/C=N/n2cnnc2)nc2ccccc21
InChIInChI=1S/C11H10N6/c1-16-10-5-3-2-4-9(10)15-11(16)6-14-17-7-12-13-8-17/h2-8H,1H3/b14-6+
InChIKeyIOFQNWOEQOCMTP-MKMNVTDBSA-N
MW226.24 g/mol
LogP1.05
Rot. Bonds2

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

(E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858809) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858809
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCn1c(/C=N/n2cnnc2)nc2ccccc21
InChIInChI=1S/C11H10N6/c1-16-10-5-3-2-4-9(10)15-11(16)6-14-17-7-12-13-8-17/h2-8H,1H3/b14-6+
InChIKeyIOFQNWOEQOCMTP-MKMNVTDBSA-N
XLogP1.05
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.05
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-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858809) is (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is Cn1c(/C=N/n2cnnc2)nc2ccccc21.
What is the InChIKey of (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is IOFQNWOEQOCMTP-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H10N6/c1-16-10-5-3-2-4-9(10)15-11(16)6-14-17-7-12-13-8-17/h2-8H,1H3/b14-6+.
What are the key properties of (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 226.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylbenzimidazol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).