5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole

C16H11Cl2N5 — CID 822895

IUPAC5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
SMILESCc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C16H11Cl2N5/c1-9-2-4-11(5-3-9)23-16(20-21-22-23)13-8-19-15-12(13)6-10(17)7-14(15)18/h2-8,19H,1H3
InChIKeyJBTIECWFMOJKAQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.43
Rot. Bonds2

About 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole

5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole (PubChem CID 822895) has the molecular formula C16H11Cl2N5 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
PubChem CID822895
Molecular FormulaC16H11Cl2N5
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
SMILESCc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C16H11Cl2N5/c1-9-2-4-11(5-3-9)23-16(20-21-22-23)13-8-19-15-12(13)6-10(17)7-14(15)18/h2-8,19H,1H3
InChIKeyJBTIECWFMOJKAQ-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole 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 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole?
The IUPAC name of 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole (CID 822895) is 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole.
What is the SMILES notation for 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole?
The canonical SMILES for 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole is Cc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1.
What is the InChIKey of 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole?
The InChIKey is JBTIECWFMOJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5/c1-9-2-4-11(5-3-9)23-16(20-21-22-23)13-8-19-15-12(13)6-10(17)7-14(15)18/h2-8,19H,1H3.
What are the key properties of 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole?
5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole has a molecular weight of 344.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole is sourced from PubChem (CID 822895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).