2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole

C21H19N5 — CID 70657160

IUPAC2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole
SMILESc1ccc(-c2[nH]c3c(c2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1
InChIInChI=1S/C21H19N5/c1-2-7-14(8-3-1)20-19(17-11-4-5-12-18(17)22-20)15-9-6-10-16(13-15)21-23-25-26-24-21/h1-3,6-10,13,22H,4-5,11-12H2,(H,23,24,25,26)
InChIKeyXLOZOLXLBAUMSJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.41
Rot. Bonds3

About 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole

2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole (PubChem CID 70657160) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole
PubChem CID70657160
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole
SMILESc1ccc(-c2[nH]c3c(c2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1
InChIInChI=1S/C21H19N5/c1-2-7-14(8-3-1)20-19(17-11-4-5-12-18(17)22-20)15-9-6-10-16(13-15)21-23-25-26-24-21/h1-3,6-10,13,22H,4-5,11-12H2,(H,23,24,25,26)
InChIKeyXLOZOLXLBAUMSJ-UHFFFAOYSA-N
XLogP4.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole (CID 70657160) is 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole is c1ccc(-c2[nH]c3c(c2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1.
What is the InChIKey of 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is XLOZOLXLBAUMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-7-14(8-3-1)20-19(17-11-4-5-12-18(17)22-20)15-9-6-10-16(13-15)21-23-25-26-24-21/h1-3,6-10,13,22H,4-5,11-12H2,(H,23,24,25,26).
What are the key properties of 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole?
2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 341.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 70657160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).