6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole

C23H20N4O — CID 139571337

IUPAC6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-n2nnc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C23H20N4O/c1-15(2)28-20-7-5-19(6-8-20)27-23-14-17(4-10-22(23)25-26-27)16-3-9-21-18(13-16)11-12-24-21/h3-15,24H,1-2H3
InChIKeyJELJPUYCEDOMIZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.36
Rot. Bonds4

About 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole

6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole (PubChem CID 139571337) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
PubChem CID139571337
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-n2nnc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C23H20N4O/c1-15(2)28-20-7-5-19(6-8-20)27-23-14-17(4-10-22(23)25-26-27)16-3-9-21-18(13-16)11-12-24-21/h3-15,24H,1-2H3
InChIKeyJELJPUYCEDOMIZ-UHFFFAOYSA-N
XLogP5.36
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole with MolForge

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

Launch Full Analysis

Related Compounds

6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
CID 134179264
5-propan-2-yloxy-1H-indole
CID 16738054
5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
CID 146659131
[1,6-bis(4-propan-2-yloxyphenyl)benzotriazol-5-yl]methanamine
CID 146627929
1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 159598250
1,6-diphenylbenzotriazole
CID 162716973
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
CID 167697970
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 167569590

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole?
The IUPAC name of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole (CID 139571337) is 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole.
What is the SMILES notation for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole?
The canonical SMILES for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole is CC(C)Oc1ccc(-n2nnc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.
What is the InChIKey of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole?
The InChIKey is JELJPUYCEDOMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15(2)28-20-7-5-19(6-8-20)27-23-14-17(4-10-22(23)25-26-27)16-3-9-21-18(13-16)11-12-24-21/h3-15,24H,1-2H3.
What are the key properties of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole?
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole has a molecular weight of 368.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole is sourced from PubChem (CID 139571337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).