(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

C18H15N5 — CID 6858802

IUPAC(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N5/c1-2-6-15(7-3-1)11-22-12-16(10-21-23-13-19-20-14-23)17-8-4-5-9-18(17)22/h1-10,12-14H,11H2/b21-10+
InChIKeyBLLNHWPEWLAAOP-UFFVCSGVSA-N
MW301.35 g/mol
LogP3.16
Rot. Bonds4

About (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858802) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858802
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N5/c1-2-6-15(7-3-1)11-22-12-16(10-21-23-13-19-20-14-23)17-8-4-5-9-18(17)22/h1-10,12-14H,11H2/b21-10+
InChIKeyBLLNHWPEWLAAOP-UFFVCSGVSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.16
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-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858802) is (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BLLNHWPEWLAAOP-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H15N5/c1-2-6-15(7-3-1)11-22-12-16(10-21-23-13-19-20-14-23)17-8-4-5-9-18(17)22/h1-10,12-14H,11H2/b21-10+.
What are the key properties of (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 301.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzylindol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).