2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)

C26H48N10 — CID 157173149

IUPAC2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
SMILESCC(C)(C)C1=NCCN1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1
InChIInChI=1S/C7H14N2.C7H12N2.2C6H11N3/c2*1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-7-4-8-9-5/h4-5H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9)
InChIKeyANRZUFSUSCFNGH-UHFFFAOYSA-N
MW500.74 g/mol
LogP4.95
Rot. Bonds

About 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)

2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole) (PubChem CID 157173149) has the molecular formula C26H48N10 and a molecular weight of 500.74 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole).

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
PubChem CID157173149
Molecular FormulaC26H48N10
Molecular Weight500.74 g/mol
Exact Mass500.41
IUPAC Name2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
SMILESCC(C)(C)C1=NCCN1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1
InChIInChI=1S/C7H14N2.C7H12N2.2C6H11N3/c2*1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-7-4-8-9-5/h4-5H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9)
InChIKeyANRZUFSUSCFNGH-UHFFFAOYSA-N
XLogP4.95
TPSA136.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.74
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)
CID 165069349
5-(2,3,3-trimethylbutan-2-yl)-1H-1,2,4-triazole
CID 164943779
2-(2-methylbutan-2-yl)-4,5-dihydro-1H-imidazole
CID 20689611
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride
CID 168862103
1-(1H-imidazol-2-yl)-1-phenylethanol
CID 15123322
N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine
CID 157250221
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole
CID 158048203
sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 175347960
2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 167694355

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole) (CID 157173149) is 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole).
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole) is CC(C)(C)C1=NCCN1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)?
The InChIKey is ANRZUFSUSCFNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C7H12N2.2C6H11N3/c2*1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-7-4-8-9-5/h4-5H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9).
What are the key properties of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)?
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole) has a molecular weight of 500.74 g/mol, XLogP of 4.95, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157173149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).