1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole

C100H156F3N17 — CID 159531355

IUPAC1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole
SMILESCC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1cnc(C(F)(F)F)c1.CC(C)(C)n1cnc(C2CC2)c1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)n1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/2C12H17N.C11H20N2.C10H16N2.C10H18N2.C10H15N.C9H15N3.C9H14N2.C9H13N.C8H11F3N2/c2*1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)12-6-9(11-7-12)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)13-4-6(12-5-13)8(9,10)11/h2*6-9H,4-5H2,1-3H3;7-8H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyMDAPOWSUCGMLGF-UHFFFAOYSA-N
MW1653.46 g/mol
LogP26.44
Rot. Bonds5

About 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole

1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole (PubChem CID 159531355) has the molecular formula C100H156F3N17 and a molecular weight of 1653.46 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole.

Molecular Properties

Compound Name1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole
PubChem CID159531355
Molecular FormulaC100H156F3N17
Molecular Weight1653.46 g/mol
Exact Mass1652.27
IUPAC Name1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole
SMILESCC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1cnc(C(F)(F)F)c1.CC(C)(C)n1cnc(C2CC2)c1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)n1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/2C12H17N.C11H20N2.C10H16N2.C10H18N2.C10H15N.C9H15N3.C9H14N2.C9H13N.C8H11F3N2/c2*1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)12-6-9(11-7-12)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)13-4-6(12-5-13)8(9,10)11/h2*6-9H,4-5H2,1-3H3;7-8H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyMDAPOWSUCGMLGF-UHFFFAOYSA-N
XLogP26.44
TPSA179.33 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.46
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole with MolForge

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Related Compounds

5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 87327297
2,3-Dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278214
2,3-Dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278245
15-[2-(2,4-Difluorophenyl)imidazol-1-yl]-7-ethyl-10-[7-ethyl-14-(2-phenyl-4,5-dihydroimidazol-1-yl)-4,5,11,13,15-pentaza-2-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,5,12,14-pentaen-4-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 123680646
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
N-[1-[2-ethenyl-1-[4-piperidin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-3-yl]-4-methylpyridin-1-ium-2-yl]-2-(1-methylpyrazol-4-yl)-6-piperidin-4-ylpyrimidin-4-amine
CID 123880165
3-[[6-[1-(1-Propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 134565117
6-[6-(Difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridin-2-yl]-3-[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)pyridin-3-yl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]imidazo[4,5-b]pyridine
CID 137388840
5-[1-[2-[[7-[6-Cyano-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]-2-methylbutyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137390422
6-[3-[2-Cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391877
6-[6-(Difluoromethyl)-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-[[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]methyl]imidazo[4,5-b]pyridine
CID 137392130
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775499

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole?
The IUPAC name of 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole (CID 159531355) is 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole.
What is the SMILES notation for 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole?
The canonical SMILES for 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole is CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)n1cnc(C(F)(F)F)c1.CC(C)(C)n1cnc(C2CC2)c1.CC(C)(C)n1cnc(C2CC2)n1.CC(C)n1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole?
The InChIKey is MDAPOWSUCGMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C11H20N2.C10H16N2.C10H18N2.C10H15N.C9H15N3.C9H14N2.C9H13N.C8H11F3N2/c2*1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)12-6-9(11-7-12)8-4-5-8;1-8(2)12-7-9(6-11-12)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)12-6-10-8(11-12)7-4-5-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)13-4-6(12-5-13)8(9,10)11/h2*6-9H,4-5H2,1-3H3;7-8H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3.
What are the key properties of 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole?
1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole has a molecular weight of 1653.46 g/mol, XLogP of 26.44, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclopropylimidazole;bis(5-tert-butyl-2-cyclopropylpyridine);1-tert-butyl-3-cyclopropyl-1,2,4-triazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-1-propan-2-ylpyrazole;3-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)imidazole;1,4-ditert-butylimidazole is sourced from PubChem (CID 159531355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).