1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole

C18H19N5 — CID 647364

IUPAC1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESc1ccc(CCn2nnnc2CN2CCc3ccccc32)cc1
InChIInChI=1S/C18H19N5/c1-2-6-15(7-3-1)10-13-23-18(19-20-21-23)14-22-12-11-16-8-4-5-9-17(16)22/h1-9H,10-14H2
InChIKeyAGGOXIKGFXCYAT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.48
Rot. Bonds5

About 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole

1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole (PubChem CID 647364) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
PubChem CID647364
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESc1ccc(CCn2nnnc2CN2CCc3ccccc32)cc1
InChIInChI=1S/C18H19N5/c1-2-6-15(7-3-1)10-13-23-18(19-20-21-23)14-22-12-11-16-8-4-5-9-17(16)22/h1-9H,10-14H2
InChIKeyAGGOXIKGFXCYAT-UHFFFAOYSA-N
XLogP2.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole (CID 647364) is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole is c1ccc(CCn2nnnc2CN2CCc3ccccc32)cc1.
What is the InChIKey of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The InChIKey is AGGOXIKGFXCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-6-15(7-3-1)10-13-23-18(19-20-21-23)14-22-12-11-16-8-4-5-9-17(16)22/h1-9H,10-14H2.
What are the key properties of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole has a molecular weight of 305.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).