5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole

C197H329N23O3S3 — CID 159095014

IUPAC5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.2C9H16N2.2C9H15N.C9H14O.C9H14S.2C8H14N2.2C8H13N.C8H12O.C8H12S.2C7H12N2.C7H11N/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6,8H,1-2H3
InChIKeyKCOBTSWPNNYSSQ-UHFFFAOYSA-N
MW3164.16 g/mol
LogP58.99
Rot. Bonds11

About 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole

5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole (PubChem CID 159095014) has the molecular formula C197H329N23O3S3 and a molecular weight of 3164.16 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole
PubChem CID159095014
Molecular FormulaC197H329N23O3S3
Molecular Weight3164.16 g/mol
Exact Mass3161.55
IUPAC Name5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.2C9H16N2.2C9H15N.C9H14O.C9H14S.2C8H14N2.2C8H13N.C8H12O.C8H12S.2C7H12N2.C7H11N/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6,8H,1-2H3
InChIKeyKCOBTSWPNNYSSQ-UHFFFAOYSA-N
XLogP58.99
TPSA306.27 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.16
LogP ≤ 558.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[2-[5-[2-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]furan-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]carbamate
CID 67240872
methyl N-[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]furan-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]carbamate
CID 67240873
2-[5-[2-[4-(1H-imidazol-5-yl)phenyl]thieno[3,2-b]furan-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbaldehyde
CID 129019245
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-thiophen-2-yl-3-pyridinyl]-1,3-thiazole
CID 141017837
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
CID 141072642
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141327986
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine
CID 141367292
CID 157073932
CID 157073932
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552
4-Tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157189504
2-tert-butyl-3H-borinino[2,3-b]furan-3-ide;1-tert-butyl-2H-borinino[2,3-b]pyrrol-2-ide;1-tert-butyl-3H-borinino[2,3-b]pyrrol-3-ide;2-tert-butylborinino[2,3-b]pyrrol-1-ide;3-tert-butylborinino[2,3-b]pyrrol-1-ide;2-tert-butyl-3H-borinino[2,3-b]thiophen-3-ide;2-tert-butylborinino[2,3-d]imidazol-3-ide;3-tert-butyl-2H-borinino[2,3-d]imidazol-2-ide;2-tert-butyl-1,3-dihydroborinino[2,3-b]pyrrol-3-ide;3-tert-butyl-2-methanidylborinino[2,3-b]furan;3-tert-butyl-2-methanidyl-1H-borinino[2,3-b]pyrrole;3-tert-butyl-2-methanidylborinino[2,3-b]thiophene;carbanide;ethane;dodecakis(yttrium)
CID 157194724
2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
CID 157201203

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole?
The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole (CID 159095014) is 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole?
The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole is CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole?
The InChIKey is KCOBTSWPNNYSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.2C9H16N2.2C9H15N.C9H14O.C9H14S.2C8H14N2.2C8H13N.C8H12O.C8H12S.2C7H12N2.C7H11N/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6,8H,1-2H3.
What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole?
5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole has a molecular weight of 3164.16 g/mol, XLogP of 58.99, 11 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 159095014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).