5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole

C24H20N4 — CID 155520949

IUPAC5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole
SMILESCC1=C(CCc2nn[nH]n2)c2ccccc2/C1=C\c1cccc2ccccc12
InChIInChI=1S/C24H20N4/c1-16-19(13-14-24-25-27-28-26-24)21-11-4-5-12-22(21)23(16)15-18-9-6-8-17-7-2-3-10-20(17)18/h2-12,15H,13-14H2,1H3,(H,25,26,27,28)/b23-15-
InChIKeySRAZJFLBDBPBGX-HAHDFKILSA-N
MW364.45 g/mol
LogP5.31
Rot. Bonds4

About 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole

5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole (PubChem CID 155520949) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole
PubChem CID155520949
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole
SMILESCC1=C(CCc2nn[nH]n2)c2ccccc2/C1=C\c1cccc2ccccc12
InChIInChI=1S/C24H20N4/c1-16-19(13-14-24-25-27-28-26-24)21-11-4-5-12-22(21)23(16)15-18-9-6-8-17-7-2-3-10-20(17)18/h2-12,15H,13-14H2,1H3,(H,25,26,27,28)/b23-15-
InChIKeySRAZJFLBDBPBGX-HAHDFKILSA-N
XLogP5.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole (CID 155520949) is 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole is CC1=C(CCc2nn[nH]n2)c2ccccc2/C1=C\c1cccc2ccccc12.
What is the InChIKey of 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole?
The InChIKey is SRAZJFLBDBPBGX-HAHDFKILSA-N. The full InChI is InChI=1S/C24H20N4/c1-16-19(13-14-24-25-27-28-26-24)21-11-4-5-12-22(21)23(16)15-18-9-6-8-17-7-2-3-10-20(17)18/h2-12,15H,13-14H2,1H3,(H,25,26,27,28)/b23-15-.
What are the key properties of 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole?
5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole has a molecular weight of 364.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 155520949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).