2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole

C24H27N5 — CID 143553023

IUPAC2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole
SMILESc1ccc(-c2cc3ccccc3n2C2CCCCCC(c3nn[nH]n3)CC2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-18(10-4-1)23-17-20-12-7-8-14-22(20)29(23)21-13-6-2-5-11-19(15-16-21)24-25-27-28-26-24/h1,3-4,7-10,12,14,17,19,21H,2,5-6,11,13,15-16H2,(H,25,26,27,28)
InChIKeyITIZZICLNYWEBK-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.89
Rot. Bonds3

About 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole

2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole (PubChem CID 143553023) has the molecular formula C24H27N5 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole.

Molecular Properties

Compound Name2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole
PubChem CID143553023
Molecular FormulaC24H27N5
Molecular Weight385.51 g/mol
Exact Mass385.23
IUPAC Name2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole
SMILESc1ccc(-c2cc3ccccc3n2C2CCCCCC(c3nn[nH]n3)CC2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-18(10-4-1)23-17-20-12-7-8-14-22(20)29(23)21-13-6-2-5-11-19(15-16-21)24-25-27-28-26-24/h1,3-4,7-10,12,14,17,19,21H,2,5-6,11,13,15-16H2,(H,25,26,27,28)
InChIKeyITIZZICLNYWEBK-UHFFFAOYSA-N
XLogP5.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]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 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole?
The IUPAC name of 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole (CID 143553023) is 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole.
What is the SMILES notation for 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole?
The canonical SMILES for 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole is c1ccc(-c2cc3ccccc3n2C2CCCCCC(c3nn[nH]n3)CC2)cc1.
What is the InChIKey of 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole?
The InChIKey is ITIZZICLNYWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-9-18(10-4-1)23-17-20-12-7-8-14-22(20)29(23)21-13-6-2-5-11-19(15-16-21)24-25-27-28-26-24/h1,3-4,7-10,12,14,17,19,21H,2,5-6,11,13,15-16H2,(H,25,26,27,28).
What are the key properties of 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole?
2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole has a molecular weight of 385.51 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(2H-tetrazol-5-yl)cyclononyl]indole is sourced from PubChem (CID 143553023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).