3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

C165H214F2N24O2 — CID 167645701

About 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (PubChem CID 167645701) has the molecular formula C165H214F2N24O2 and a molecular weight of 2603.69 g/mol. Its IUPAC name is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.

Molecular Properties

• Compound Name: 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
• PubChem CID: 167645701
• Molecular Formula: C165H214F2N24O2
• Molecular Weight: 2603.69 g/mol
• Exact Mass: 2601.73
• IUPAC Name: 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
• SMILES: CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C
• InChI: InChI=1S/C14H17F2NO.5C14H18N2.C14H20N2.C14H17NO.C14H17N.2C13H17N3.C13H19N3/c1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;2*1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5/h4-7H,8-9H2,1-3H3;5*5-10H,1-4H3;6-10,15H,1H2,2-5H3;5-9H,1-4H3;4-10,15H,1-3H3;2*5-9H,1-4H3;6-9,14H,1H2,2-5H3/b;;;;;;15-10+;;;;;15-14+
• InChIKey: PVLRKTCPYRQHAW-JQGQGOKHSA-N
• XLogP: 42.39
• TPSA: 279.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2603.69
LogP ≤ 5	42.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?

The IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (CID 167645701) is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.

What is the SMILES notation for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?

The canonical SMILES for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C.

What is the InChIKey of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?

The InChIKey is PVLRKTCPYRQHAW-JQGQGOKHSA-N. The full InChI is InChI=1S/C14H17F2NO.5C14H18N2.C14H20N2.C14H17NO.C14H17N.2C13H17N3.C13H19N3/c1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;2*1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5/h4-7H,8-9H2,1-3H3;5*5-10H,1-4H3;6-10,15H,1H2,2-5H3;5-9H,1-4H3;4-10,15H,1-3H3;2*5-9H,1-4H3;6-9,14H,1H2,2-5H3/b;;;;;;15-10+;;;;;15-14+.

What are the key properties of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?

3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole has a molecular weight of 2603.69 g/mol, XLogP of 42.39, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is sourced from PubChem (CID 167645701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).