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

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Related Compounds

3-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole
CID 12015378
9-(pyrrolidin-1-ylmethyl)-9H-carbazole
CID 3730979
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
{[2-(9-Methyl-9H-carbazol-2-yl)-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid
CID 10623498
1-methyl-2-(2-p-tolyl-2H-tetrazol-5-yl)-1H-indole
CID 16066509
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole
CID 90655274
2-cycloheptyl-N-methyl-N-[[2-(2H-tetrazol-5-yl)-1H-indol-3-yl]methyl]ethanamine
CID 168275492
3,6-dichloro-9-[2-(2H-tetrazol-5-yl)ethyl]carbazole
CID 117637060
2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]-2,3-dihydroindol-1-yl]methyl]phenyl]ethenyl]quinoline
CID 19959108
3-phenyl-1-(2H-tetrazol-5-ylmethyl)indazole
CID 49835841
1-(3,4-Dichloro-benzyl)-2-(1H-tetrazol-5-yl)-1H-indole
CID 44353196
3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
CID 136086940

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).