4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

C24H27N5O — CID 13241088

IUPAC4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C24H27N5O/c1-15(18-10-11-19-20(13-18)24(4,5)14-23(19,2)3)12-16-6-8-17(9-7-16)21(30)25-22-26-28-29-27-22/h6-13H,14H2,1-5H3,(H2,25,26,27,28,29,30)/b15-12+
InChIKeyXVZQPXYEFSGPGI-NTCAYCPXSA-N
MW401.51 g/mol
LogP4.97
Rot. Bonds4

About 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13241088) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13241088
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C24H27N5O/c1-15(18-10-11-19-20(13-18)24(4,5)14-23(19,2)3)12-16-6-8-17(9-7-16)21(30)25-22-26-28-29-27-22/h6-13H,14H2,1-5H3,(H2,25,26,27,28,29,30)/b15-12+
InChIKeyXVZQPXYEFSGPGI-NTCAYCPXSA-N
XLogP4.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (CID 13241088) is 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is C/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C.
What is the InChIKey of 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XVZQPXYEFSGPGI-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15(18-10-11-19-20(13-18)24(4,5)14-23(19,2)3)12-16-6-8-17(9-7-16)21(30)25-22-26-28-29-27-22/h6-13H,14H2,1-5H3,(H2,25,26,27,28,29,30)/b15-12+.
What are the key properties of 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13241088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).