2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide

C99H126N10O8S — CID 158656673

IUPAC2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide
SMILESCC(C)c1cc(-c2ccco2)no1.CC(C)c1cc(C(C)(C)C)no1.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1nc2ccccc2o1.Cc1ccc(C(C)C)cc1.O=S=O
InChIInChI=1S/C14H20N2.C12H14N2.2C11H13NO.C11H13N.C10H11NO2.C10H11NO.C10H17NO.C10H14.O2S/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-6-8(11-13-10)9-4-3-5-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-9(11-12-8)10(3,4)5;1-8(2)10-6-4-9(3)5-7-10;1-3-2/h6-9H,1-5H3,(H,15,16);3-9H,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;6-7H,1-5H3;4-8H,1-3H3;
InChIKeyICFLIROLAWKKTI-UHFFFAOYSA-N
MW1616.23 g/mol
LogP26.64
Rot. Bonds11

About 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide

2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide (PubChem CID 158656673) has the molecular formula C99H126N10O8S and a molecular weight of 1616.23 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide.

Molecular Properties

Compound Name2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide
PubChem CID158656673
Molecular FormulaC99H126N10O8S
Molecular Weight1616.23 g/mol
Exact Mass1614.95
IUPAC Name2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide
SMILESCC(C)c1cc(-c2ccco2)no1.CC(C)c1cc(C(C)(C)C)no1.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1nc2ccccc2o1.Cc1ccc(C(C)C)cc1.O=S=O
InChIInChI=1S/C14H20N2.C12H14N2.2C11H13NO.C11H13N.C10H11NO2.C10H11NO.C10H17NO.C10H14.O2S/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-6-8(11-13-10)9-4-3-5-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-9(11-12-8)10(3,4)5;1-8(2)10-6-4-9(3)5-7-10;1-3-2/h6-9H,1-5H3,(H,15,16);3-9H,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;6-7H,1-5H3;4-8H,1-3H3;
InChIKeyICFLIROLAWKKTI-UHFFFAOYSA-N
XLogP26.64
TPSA256.72 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.23
LogP ≤ 526.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide with MolForge

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Related Compounds

4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571
N,N-diethyl-6-[6-[2-[[2-[2-(ethylcarbamoyl)-1H-indol-5-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387851
3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole
CID 140976008
2-[2-(1H-benzimidazol-2-yl)-6-(1,2-benzoxazol-3-yl)-3-indazol-1-ylphenyl]-1,3-benzoxazole
CID 140978005
2-[5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141051882
2-[1-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole
CID 141064197
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
CID 141071928
2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole
CID 141106718
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
2-[7-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-2-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-oxazole
CID 141196549
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-6-(1H-imidazol-2-yl)-4-(1H-indazol-3-yl)phenyl]-1H-benzimidazol-2-one
CID 141220961

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide?
The IUPAC name of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide (CID 158656673) is 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide.
What is the SMILES notation for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide?
The canonical SMILES for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide is CC(C)c1cc(-c2ccco2)no1.CC(C)c1cc(C(C)(C)C)no1.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1nc2ccccc2o1.Cc1ccc(C(C)C)cc1.O=S=O.
What is the InChIKey of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide?
The InChIKey is ICFLIROLAWKKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C12H14N2.2C11H13NO.C11H13N.C10H11NO2.C10H11NO.C10H17NO.C10H14.O2S/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-6-8(11-13-10)9-4-3-5-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-9(11-12-8)10(3,4)5;1-8(2)10-6-4-9(3)5-7-10;1-3-2/h6-9H,1-5H3,(H,15,16);3-9H,1-2H3,(H,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;6-7H,1-5H3;4-8H,1-3H3;.
What are the key properties of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide?
2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide has a molecular weight of 1616.23 g/mol, XLogP of 26.64, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide is sourced from PubChem (CID 158656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).