6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine

C110H144Cl2F2N12O4 — CID 163647076

IUPAC6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)N1CC(F)(F)c2c1cccc2C(C)(C)C.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)N(C)c1cccc(C(C)(C)C)c1Cl.CN1CCc2cc(Cl)c(C(C)(C)C)cc21
InChIInChI=1S/C14H22ClN.C14H17F2NO.C13H18ClN.2C12H15NO.C12H15N.C11H14N2O.2C11H14N2/c1-10(2)16(6)12-9-7-8-11(13(12)15)14(3,4)5;1-9(18)17-8-14(15,16)12-10(13(2,3)4)6-5-7-11(12)17;1-13(2,3)10-8-12-9(7-11(10)14)5-6-15(12)4;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h7-10H,1-6H3;5-7H,8H2,1-4H3;7-8H,5-6H2,1-4H3;2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyIJDKWGKCXPMBPH-UHFFFAOYSA-N
MW1807.34 g/mol
LogP27.60
Rot. Bonds2

About 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine

6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163647076) has the molecular formula C110H144Cl2F2N12O4 and a molecular weight of 1807.34 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID163647076
Molecular FormulaC110H144Cl2F2N12O4
Molecular Weight1807.34 g/mol
Exact Mass1805.08
IUPAC Name6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)N1CC(F)(F)c2c1cccc2C(C)(C)C.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)N(C)c1cccc(C(C)(C)C)c1Cl.CN1CCc2cc(Cl)c(C(C)(C)C)cc21
InChIInChI=1S/C14H22ClN.C14H17F2NO.C13H18ClN.2C12H15NO.C12H15N.C11H14N2O.2C11H14N2/c1-10(2)16(6)12-9-7-8-11(13(12)15)14(3,4)5;1-9(18)17-8-14(15,16)12-10(13(2,3)4)6-5-7-11(12)17;1-13(2,3)10-8-12-9(7-11(10)14)5-6-15(12)4;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h7-10H,1-6H3;5-7H,8H2,1-4H3;7-8H,5-6H2,1-4H3;2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyIJDKWGKCXPMBPH-UHFFFAOYSA-N
XLogP27.60
TPSA206.79 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001807.34
LogP ≤ 527.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine (CID 163647076) is 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine is CC(=O)N1CC(F)(F)c2c1cccc2C(C)(C)C.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)N(C)c1cccc(C(C)(C)C)c1Cl.CN1CCc2cc(Cl)c(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IJDKWGKCXPMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN.C14H17F2NO.C13H18ClN.2C12H15NO.C12H15N.C11H14N2O.2C11H14N2/c1-10(2)16(6)12-9-7-8-11(13(12)15)14(3,4)5;1-9(18)17-8-14(15,16)12-10(13(2,3)4)6-5-7-11(12)17;1-13(2,3)10-8-12-9(7-11(10)14)5-6-15(12)4;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h7-10H,1-6H3;5-7H,8H2,1-4H3;7-8H,5-6H2,1-4H3;2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine?
6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1807.34 g/mol, XLogP of 27.60, 2 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163647076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).