1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole

C14H19N5 — CID 118530666

IUPAC1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole
SMILESCC(C)c1c2c(c(C(C)C)c3c1nnn3C)=NCN=2
InChIInChI=1S/C14H19N5/c1-7(2)9-11-12(16-6-15-11)10(8(3)4)14-13(9)17-18-19(14)5/h7-8H,6H2,1-5H3
InChIKeyHSKKRVWUVWEUQG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole

1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole (PubChem CID 118530666) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole.

Molecular Properties

Compound Name1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole
PubChem CID118530666
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole
SMILESCC(C)c1c2c(c(C(C)C)c3c1nnn3C)=NCN=2
InChIInChI=1S/C14H19N5/c1-7(2)9-11-12(16-6-15-11)10(8(3)4)14-13(9)17-18-19(14)5/h7-8H,6H2,1-5H3
InChIKeyHSKKRVWUVWEUQG-UHFFFAOYSA-N
XLogP1.43
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole?
The IUPAC name of 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole (CID 118530666) is 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole.
What is the SMILES notation for 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole?
The canonical SMILES for 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole is CC(C)c1c2c(c(C(C)C)c3c1nnn3C)=NCN=2.
What is the InChIKey of 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole?
The InChIKey is HSKKRVWUVWEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-7(2)9-11-12(16-6-15-11)10(8(3)4)14-13(9)17-18-19(14)5/h7-8H,6H2,1-5H3.
What are the key properties of 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole?
1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole has a molecular weight of 257.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzotriazole is sourced from PubChem (CID 118530666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).