1-(1-imidazol-1-ylcyclohexyl)benzotriazole

C15H17N5 — CID 3276924

IUPAC1-(1-imidazol-1-ylcyclohexyl)benzotriazole
SMILESc1ccc2c(c1)nnn2C1(n2ccnc2)CCCCC1
InChIInChI=1S/C15H17N5/c1-4-8-15(9-5-1,19-11-10-16-12-19)20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7,10-12H,1,4-5,8-9H2
InChIKeyDDIOBLWRBOKBNO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-imidazol-1-ylcyclohexyl)benzotriazole

1-(1-imidazol-1-ylcyclohexyl)benzotriazole (PubChem CID 3276924) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylcyclohexyl)benzotriazole.

Molecular Properties

Compound Name1-(1-imidazol-1-ylcyclohexyl)benzotriazole
PubChem CID3276924
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-(1-imidazol-1-ylcyclohexyl)benzotriazole
SMILESc1ccc2c(c1)nnn2C1(n2ccnc2)CCCCC1
InChIInChI=1S/C15H17N5/c1-4-8-15(9-5-1,19-11-10-16-12-19)20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7,10-12H,1,4-5,8-9H2
InChIKeyDDIOBLWRBOKBNO-UHFFFAOYSA-N
XLogP2.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-imidazol-1-ylcyclohexyl)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-(1-imidazol-1-ylcyclohexyl)benzotriazole?
The IUPAC name of 1-(1-imidazol-1-ylcyclohexyl)benzotriazole (CID 3276924) is 1-(1-imidazol-1-ylcyclohexyl)benzotriazole.
What is the SMILES notation for 1-(1-imidazol-1-ylcyclohexyl)benzotriazole?
The canonical SMILES for 1-(1-imidazol-1-ylcyclohexyl)benzotriazole is c1ccc2c(c1)nnn2C1(n2ccnc2)CCCCC1.
What is the InChIKey of 1-(1-imidazol-1-ylcyclohexyl)benzotriazole?
The InChIKey is DDIOBLWRBOKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-8-15(9-5-1,19-11-10-16-12-19)20-14-7-3-2-6-13(14)17-18-20/h2-3,6-7,10-12H,1,4-5,8-9H2.
What are the key properties of 1-(1-imidazol-1-ylcyclohexyl)benzotriazole?
1-(1-imidazol-1-ylcyclohexyl)benzotriazole has a molecular weight of 267.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylcyclohexyl)benzotriazole is sourced from PubChem (CID 3276924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).