2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole

C76H139N19O3 — CID 157462376

IUPAC2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)Cc1ncc(C(C)C)[nH]1.CC(C)NC(=O)C(C)C.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.2C9H16N2.C9H15NO.3C8H15N3.C8H14N2O.C7H15NO/c1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7(9)8-6(3)4/h6-8H,5H2,1-4H3,(H,11,12);2*5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-6H,1-4H3;5-6H,1-4H3,(H,8,9)
InChIKeyBUBOMGWHLRLGMP-UHFFFAOYSA-N
MW1367.08 g/mol
LogP20.47
Rot. Bonds19

About 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole (PubChem CID 157462376) has the molecular formula C76H139N19O3 and a molecular weight of 1367.08 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
PubChem CID157462376
Molecular FormulaC76H139N19O3
Molecular Weight1367.08 g/mol
Exact Mass1366.13
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)Cc1ncc(C(C)C)[nH]1.CC(C)NC(=O)C(C)C.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.2C9H16N2.C9H15NO.3C8H15N3.C8H14N2O.C7H15NO/c1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7(9)8-6(3)4/h6-8H,5H2,1-4H3,(H,11,12);2*5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-6H,1-4H3;5-6H,1-4H3,(H,8,9)
InChIKeyBUBOMGWHLRLGMP-UHFFFAOYSA-N
XLogP20.47
TPSA283.08 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.08
LogP ≤ 520.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole with MolForge

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Related Compounds

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 157098537
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,5-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-3H-pyrrole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157799171
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 158079348
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158360371
2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
CID 158884399
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;ethane
CID 159506842
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 159643197
2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-1H-pyrimidin-6-one;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;5-(3-methylbut-1-ynyl)-2-propan-2-yl-1H-imidazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole;2-propan-2-yl-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 159853826
2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-1H-pyrimidin-6-one;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-(3-methylbut-1-ynyl)-2-propan-2-yl-1H-imidazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole;2-propan-2-yl-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 161300820
2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole
CID 161454598
2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1-methyl-2,5-di(propan-2-yl)imidazole
CID 161721048
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 161975576

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole (CID 157462376) is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole is CC(C)Cc1ncc(C(C)C)[nH]1.CC(C)NC(=O)C(C)C.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole?
The InChIKey is BUBOMGWHLRLGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2C9H16N2.C9H15NO.3C8H15N3.C8H14N2O.C7H15NO/c1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7(9)8-6(3)4/h6-8H,5H2,1-4H3,(H,11,12);2*5-7H,1-4H3,(H,10,11);3*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-6H,1-4H3;5-6H,1-4H3,(H,8,9).
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole?
2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole has a molecular weight of 1367.08 g/mol, XLogP of 20.47, 19 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 157462376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).