5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole

C19H12ClN5 — CID 735869

IUPAC5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole
SMILESClc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C19H12ClN5/c20-14-6-8-18-16(10-14)17(11-21-18)19-22-23-24-25(19)15-7-5-12-3-1-2-4-13(12)9-15/h1-11,21H
InChIKeyCREGBRLXPSFGQK-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.62
Rot. Bonds2

About 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole

5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole (PubChem CID 735869) has the molecular formula C19H12ClN5 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole
PubChem CID735869
Molecular FormulaC19H12ClN5
Molecular Weight345.79 g/mol
Exact Mass345.08
IUPAC Name5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole
SMILESClc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C19H12ClN5/c20-14-6-8-18-16(10-14)17(11-21-18)19-22-23-24-25(19)15-7-5-12-3-1-2-4-13(12)9-15/h1-11,21H
InChIKeyCREGBRLXPSFGQK-UHFFFAOYSA-N
XLogP4.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.62
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-naphthalen-2-yltetrazol-5-yl)-1H-indole?
The IUPAC name of 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole (CID 735869) is 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole is Clc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole?
The InChIKey is CREGBRLXPSFGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5/c20-14-6-8-18-16(10-14)17(11-21-18)19-22-23-24-25(19)15-7-5-12-3-1-2-4-13(12)9-15/h1-11,21H.
What are the key properties of 5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole?
5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole has a molecular weight of 345.79 g/mol, XLogP of 4.62, 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-naphthalen-2-yltetrazol-5-yl)-1H-indole is sourced from PubChem (CID 735869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).