1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole

C25H23N5 — CID 59317762

IUPAC1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole
SMILESc1ccc(CCc2cn(-c3ccccc3)c3ccc(CCc4nn[nH]n4)cc23)cc1
InChIInChI=1S/C25H23N5/c1-3-7-19(8-4-1)11-14-21-18-30(22-9-5-2-6-10-22)24-15-12-20(17-23(21)24)13-16-25-26-28-29-27-25/h1-10,12,15,17-18H,11,13-14,16H2,(H,26,27,28,29)
InChIKeyXCXOKNFAUKJNHT-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.71
Rot. Bonds7

About 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole

1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole (PubChem CID 59317762) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole.

Molecular Properties

Compound Name1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole
PubChem CID59317762
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole
SMILESc1ccc(CCc2cn(-c3ccccc3)c3ccc(CCc4nn[nH]n4)cc23)cc1
InChIInChI=1S/C25H23N5/c1-3-7-19(8-4-1)11-14-21-18-30(22-9-5-2-6-10-22)24-15-12-20(17-23(21)24)13-16-25-26-28-29-27-25/h1-10,12,15,17-18H,11,13-14,16H2,(H,26,27,28,29)
InChIKeyXCXOKNFAUKJNHT-UHFFFAOYSA-N
XLogP4.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole?
The IUPAC name of 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole (CID 59317762) is 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole.
What is the SMILES notation for 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole?
The canonical SMILES for 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole is c1ccc(CCc2cn(-c3ccccc3)c3ccc(CCc4nn[nH]n4)cc23)cc1.
What is the InChIKey of 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole?
The InChIKey is XCXOKNFAUKJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-3-7-19(8-4-1)11-14-21-18-30(22-9-5-2-6-10-22)24-15-12-20(17-23(21)24)13-16-25-26-28-29-27-25/h1-10,12,15,17-18H,11,13-14,16H2,(H,26,27,28,29).
What are the key properties of 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole?
1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole has a molecular weight of 393.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole is sourced from PubChem (CID 59317762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).