1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole

C74H113N9OS2 — CID 159461451

IUPAC1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)n1ccc2ccccc21.CC(C)n1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2occc2c1.c1ccncc1
InChIInChI=1S/C11H13N.C8H11N.C8H6O.C7H10S.C6H10N2.C6H9NS.C5H5N.C4H5N.4C4H10.C3H4N2/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-5-3-4-6-9-8;1-2-4-8-7(3-1)5-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-5-3-4-1/h3-9H,1-2H3;3-7H,1-2H3;1-6H;2*3-6H,1-2H3;3-5H,1-2H3;1-5H;1-5H;4*4H,1-3H3;1-3H,(H,4,5)
InChIKeyLUQJGEPFNHHDHM-UHFFFAOYSA-N
MW1208.91 g/mol
LogP23.62
Rot. Bonds5

About 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole

1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole (PubChem CID 159461451) has the molecular formula C74H113N9OS2 and a molecular weight of 1208.91 g/mol. Its IUPAC name is 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole.

Molecular Properties

Compound Name1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole
PubChem CID159461451
Molecular FormulaC74H113N9OS2
Molecular Weight1208.91 g/mol
Exact Mass1207.85
IUPAC Name1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)n1ccc2ccccc21.CC(C)n1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2occc2c1.c1ccncc1
InChIInChI=1S/C11H13N.C8H11N.C8H6O.C7H10S.C6H10N2.C6H9NS.C5H5N.C4H5N.4C4H10.C3H4N2/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-5-3-4-6-9-8;1-2-4-8-7(3-1)5-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-5-3-4-1/h3-9H,1-2H3;3-7H,1-2H3;1-6H;2*3-6H,1-2H3;3-5H,1-2H3;1-5H;1-5H;4*4H,1-3H3;1-3H,(H,4,5)
InChIKeyLUQJGEPFNHHDHM-UHFFFAOYSA-N
XLogP23.62
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.91
LogP ≤ 523.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indole
CID 69368831
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
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-(4-phenyl-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 123589093
2-[3-(1-benzofuran-2-yl)-1-(1H-imidazol-2-yl)-4-pyrrolidin-1-yl-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-2H-pyridin-2-yl]-1,3-benzothiazole
CID 140992395
2-[1-(1H-benzimidazol-2-yl)-2-(1-benzofuran-2-yl)-1-(1H-benzotriazol-4-yl)-5-isoquinolin-1-yl-4-quinolin-2-ylthiophen-3-yl]-1,3-benzothiazole
CID 141089332
2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole
CID 141121032
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 141151189
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
2-[4-(benzimidazol-1-yl)-5-(furan-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyrazolidin-3-yl]-1,3-thiazole
CID 141198665
2-[5-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-3,4-bis(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-thiazole
CID 141303197
2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole
CID 141427138

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole?
The IUPAC name of 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole (CID 159461451) is 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole.
What is the SMILES notation for 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole?
The canonical SMILES for 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)n1ccc2ccccc21.CC(C)n1ccnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2occc2c1.c1ccncc1.
What is the InChIKey of 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole?
The InChIKey is LUQJGEPFNHHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C8H11N.C8H6O.C7H10S.C6H10N2.C6H9NS.C5H5N.C4H5N.4C4H10.C3H4N2/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-5-3-4-6-9-8;1-2-4-8-7(3-1)5-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-5-3-4-1/h3-9H,1-2H3;3-7H,1-2H3;1-6H;2*3-6H,1-2H3;3-5H,1-2H3;1-5H;1-5H;4*4H,1-3H3;1-3H,(H,4,5).
What are the key properties of 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole?
1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole has a molecular weight of 1208.91 g/mol, XLogP of 23.62, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1H-imidazole;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole is sourced from PubChem (CID 159461451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).