1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole

C17H18N8 — CID 3835372

IUPAC1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCN(Cn2nnc3ccccc32)C1
InChIInChI=1S/C17H18N8/c1-3-7-16-14(5-1)18-20-24(16)12-22-9-10-23(11-22)13-25-17-8-4-2-6-15(17)19-21-25/h1-8H,9-13H2
InChIKeySUCRJFKCASQPQQ-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.37
Rot. Bonds4

About 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole

1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole (PubChem CID 3835372) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole
PubChem CID3835372
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCN(Cn2nnc3ccccc32)C1
InChIInChI=1S/C17H18N8/c1-3-7-16-14(5-1)18-20-24(16)12-22-9-10-23(11-22)13-25-17-8-4-2-6-15(17)19-21-25/h1-8H,9-13H2
InChIKeySUCRJFKCASQPQQ-UHFFFAOYSA-N
XLogP1.37
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole?
The IUPAC name of 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole (CID 3835372) is 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole is c1ccc2c(c1)nnn2CN1CCN(Cn2nnc3ccccc32)C1.
What is the InChIKey of 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole?
The InChIKey is SUCRJFKCASQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-3-7-16-14(5-1)18-20-24(16)12-22-9-10-23(11-22)13-25-17-8-4-2-6-15(17)19-21-25/h1-8H,9-13H2.
What are the key properties of 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole?
1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole has a molecular weight of 334.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole is sourced from PubChem (CID 3835372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).