4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

C26H31N5O — CID 54407146

IUPAC4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=Cc1ccc(C(=O)Nc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C26H31N5O/c1-15(12-18-8-10-19(11-9-18)23(32)27-24-28-30-31-29-24)20-14-22-21(13-16(20)2)25(4,5)17(3)26(22,6)7/h8-14,17H,1-7H3,(H2,27,28,29,30,31,32)
InChIKeyVRNHTLGHNJRHIN-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.53
Rot. Bonds4

About 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 54407146) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID54407146
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=Cc1ccc(C(=O)Nc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C26H31N5O/c1-15(12-18-8-10-19(11-9-18)23(32)27-24-28-30-31-29-24)20-14-22-21(13-16(20)2)25(4,5)17(3)26(22,6)7/h8-14,17H,1-7H3,(H2,27,28,29,30,31,32)
InChIKeyVRNHTLGHNJRHIN-UHFFFAOYSA-N
XLogP5.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
CID 645076
4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide
CID 893341
N-(2-butyltetrazol-5-yl)-4-phenylbenzamide
CID 2219056
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide
CID 933405
Naphthalenecarboxamidotetrazole
CID 5100620
N-(1H-tetrazol-5-yl)biphenyl-4-carboxamide
CID 897113
2-methyl-N-(1H-tetrazol-5-yl)benzamide
CID 897135
4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
CID 13241083
4-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
CID 13241085
4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
CID 13241086
4-[(E)-2-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
CID 13241087
4-[(E)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
CID 13241088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (CID 54407146) is 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is CC(=Cc1ccc(C(=O)Nc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C.
What is the InChIKey of 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is VRNHTLGHNJRHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-15(12-18-8-10-19(11-9-18)23(32)27-24-28-30-31-29-24)20-14-22-21(13-16(20)2)25(4,5)17(3)26(22,6)7/h8-14,17H,1-7H3,(H2,27,28,29,30,31,32).
What are the key properties of 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 429.57 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 54407146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).