5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole

C15H9Cl2N5 — CID 2729740

IUPAC5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
SMILESClc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C15H9Cl2N5/c16-9-1-4-11(5-2-9)22-15(19-20-21-22)13-8-18-14-6-3-10(17)7-12(13)14/h1-8,18H
InChIKeyLEEDJVYUVHOTHZ-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.12
Rot. Bonds2

About 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole

5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole (PubChem CID 2729740) has the molecular formula C15H9Cl2N5 and a molecular weight of 330.18 g/mol. Its IUPAC name is 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
PubChem CID2729740
Molecular FormulaC15H9Cl2N5
Molecular Weight330.18 g/mol
Exact Mass329.02
IUPAC Name5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
SMILESClc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C15H9Cl2N5/c16-9-1-4-11(5-2-9)22-15(19-20-21-22)13-8-18-14-6-3-10(17)7-12(13)14/h1-8,18H
InChIKeyLEEDJVYUVHOTHZ-UHFFFAOYSA-N
XLogP4.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole?
The IUPAC name of 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole (CID 2729740) is 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole?
The canonical SMILES for 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole is Clc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole?
The InChIKey is LEEDJVYUVHOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5/c16-9-1-4-11(5-2-9)22-15(19-20-21-22)13-8-18-14-6-3-10(17)7-12(13)14/h1-8,18H.
What are the key properties of 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole?
5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole has a molecular weight of 330.18 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole is sourced from PubChem (CID 2729740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).