ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine

C62H89N5OS2 — CID 158011391

IUPACethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C11H13N.C11H12O.C10H12N2.2C10H11NS.5C2H6/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;5*1-2/h3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;5*1-2H3
InChIKeyFEXSUFRNIIVOPN-UHFFFAOYSA-N
MW984.56 g/mol
LogP21.50
Rot. Bonds5

About ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine

ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 158011391) has the molecular formula C62H89N5OS2 and a molecular weight of 984.56 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID158011391
Molecular FormulaC62H89N5OS2
Molecular Weight984.56 g/mol
Exact Mass983.65
IUPAC Nameethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C11H13N.C11H12O.C10H12N2.2C10H11NS.5C2H6/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;5*1-2/h3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;5*1-2H3
InChIKeyFEXSUFRNIIVOPN-UHFFFAOYSA-N
XLogP21.50
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.56
LogP ≤ 521.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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Related Compounds

2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 139244342
2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-3,7,8-triium
CID 139244343
[2-[5-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazol-5-yl]-phenyldiazene
CID 155816926
2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
CID 25050939
CID 59359313
CID 59359313
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
1-[3-[1H-benzimidazol-2-yl-[(1-methylpiperidin-4-yl)amino]methyl]phenyl]ethanone;N-[1,3-benzothiazol-2-yl-(3-butoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 68281123
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indole
CID 69368831
2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
CID 70864391
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1H-imidazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 117983917
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118474430
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 123589093

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine (CID 158011391) is ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine is CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.
What is the InChIKey of ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is FEXSUFRNIIVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C11H12O.C10H12N2.2C10H11NS.5C2H6/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;5*1-2/h3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;5*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine?
ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 984.56 g/mol, XLogP of 21.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1H-indole;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158011391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).