2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane

C112H193N17OS — CID 161380595

IUPAC2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.Cn1ccc(C(C)(C)C)n1.Cn1nccc1C(C)(C)C
InChIInChI=1S/4C9H13N.C8H12N2.2C8H14N2.2C8H12N2.C8H12S.C7H12N2.C7H11NO.7C2H6/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-8-4-5-9-6;7*1-2/h4*4-7H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;7*1-2H3
InChIKeyVRRBCSNDGYCEAL-UHFFFAOYSA-N
MW1825.96 g/mol
LogP32.18
Rot. Bonds

About 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane

2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane (PubChem CID 161380595) has the molecular formula C112H193N17OS and a molecular weight of 1825.96 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane
PubChem CID161380595
Molecular FormulaC112H193N17OS
Molecular Weight1825.96 g/mol
Exact Mass1824.53
IUPAC Name2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.Cn1ccc(C(C)(C)C)n1.Cn1nccc1C(C)(C)C
InChIInChI=1S/4C9H13N.C8H12N2.2C8H14N2.2C8H12N2.C8H12S.C7H12N2.C7H11NO.7C2H6/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-8-4-5-9-6;7*1-2/h4*4-7H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;7*1-2H3
InChIKeyVRRBCSNDGYCEAL-UHFFFAOYSA-N
XLogP32.18
TPSA219.25 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.96
LogP ≤ 532.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158621530
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-Tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole
CID 157067700
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
1-Tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
CID 157106362
3-tert-butyl-6-methylidene-5,7-dihydrocyclopenta[c]pyridine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-2-one;3,3-dimethyl-1-phenylbutan-2-one;3,3-dimethyl-1-pyrazin-2-ylbutan-2-one;3,3-dimethyl-1-pyridazin-3-ylbutan-2-one;3,3-dimethyl-1-pyridin-3-ylbutan-2-one;3,3-dimethyl-1-pyrimidin-2-ylbutan-2-one;3,3-dimethyl-1-pyrimidin-4-ylbutan-2-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-2-one;3,3-dimethyl-1-(1,3-thiazol-4-yl)butan-2-one;methane
CID 157109919
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;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;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
CID 157229571

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane?
The IUPAC name of 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane (CID 161380595) is 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane.
What is the SMILES notation for 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane?
The canonical SMILES for 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.Cn1ccc(C(C)(C)C)n1.Cn1nccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane?
The InChIKey is VRRBCSNDGYCEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H13N.C8H12N2.2C8H14N2.2C8H12N2.C8H12S.C7H12N2.C7H11NO.7C2H6/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-8-4-5-9-6;7*1-2/h4*4-7H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;7*1-2H3.
What are the key properties of 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane?
2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane has a molecular weight of 1825.96 g/mol, XLogP of 32.18, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiophene;ethane is sourced from PubChem (CID 161380595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).