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

C21H19N5 — CID 59214596

IUPAC2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole
SMILESc1ccc(-c2cc3c(n2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1
InChIInChI=1S/C21H19N5/c1-2-7-15(8-3-1)20-14-16-9-4-5-12-19(16)26(20)18-11-6-10-17(13-18)21-22-24-25-23-21/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,22,23,24,25)
InChIKeyCSBOROXJVMJEAD-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.20
Rot. Bonds3

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

2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole (PubChem CID 59214596) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole
PubChem CID59214596
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole
SMILESc1ccc(-c2cc3c(n2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1
InChIInChI=1S/C21H19N5/c1-2-7-15(8-3-1)20-14-16-9-4-5-12-19(16)26(20)18-11-6-10-17(13-18)21-22-24-25-23-21/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,22,23,24,25)
InChIKeyCSBOROXJVMJEAD-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-2-yl)-3-[3-(2H-tetrazol-5-yl)phenyl]-4,5-dihydrobenzo[e]indole
CID 59412127
2-(1,3-benzodioxol-5-yl)-1-[3-(2H-tetrazol-5-yl)phenyl]-6,7,8,9-tetrahydronaphtho[2,1-e]indole
CID 70905441
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
CID 59214570
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
CID 20886158
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)phenyl]methanone
CID 22522057
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
4-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid
CID 53212875
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 122229029
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
CID 134097284

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole?
The IUPAC name of 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole (CID 59214596) is 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole?
The canonical SMILES for 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole is c1ccc(-c2cc3c(n2-c2cccc(-c4nn[nH]n4)c2)CCCC3)cc1.
What is the InChIKey of 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole?
The InChIKey is CSBOROXJVMJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-7-15(8-3-1)20-14-16-9-4-5-12-19(16)26(20)18-11-6-10-17(13-18)21-22-24-25-23-21/h1-3,6-8,10-11,13-14H,4-5,9,12H2,(H,22,23,24,25).
What are the key properties of 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole?
2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole has a molecular weight of 341.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 59214596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).