(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole

C124H139Cl3FN7O4S2 — CID 159664476

IUPAC(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole
SMILESCC(C)/C=C/c1c[nH]c2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)c1cc2cc(Cl)ccc2[nH]1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1sc2ccccc2c1Cl.COc1ccc2[nH]c(C(C)C)cc2c1.COc1ccc2c(c1)c(CC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO2.C13H15N.C12H15NO.C12H15N.C11H12ClN.C11H11ClS.C11H12FN.C11H13N.C11H12O.C11H12S/c1-13(2)11-18-14(3)23(20-10-9-17(25-4)12-19(18)20)21(24)15-5-7-16(22)8-6-15;1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h5-10,12-13H,11H2,1-4H3;3-10,14H,1-2H3;4-8,13H,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3/b;8-7+;;;;;;;;
InChIKeyMTFMYPLEYXASNX-AAZDJIGVSA-N
MW1981.01 g/mol
LogP38.93
Rot. Bonds16

About (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole

(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole (PubChem CID 159664476) has the molecular formula C124H139Cl3FN7O4S2 and a molecular weight of 1981.01 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole
PubChem CID159664476
Molecular FormulaC124H139Cl3FN7O4S2
Molecular Weight1981.01 g/mol
Exact Mass1977.94
IUPAC Name(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole
SMILESCC(C)/C=C/c1c[nH]c2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)c1cc2cc(Cl)ccc2[nH]1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1sc2ccccc2c1Cl.COc1ccc2[nH]c(C(C)C)cc2c1.COc1ccc2c(c1)c(CC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO2.C13H15N.C12H15NO.C12H15N.C11H12ClN.C11H11ClS.C11H12FN.C11H13N.C11H12O.C11H12S/c1-13(2)11-18-14(3)23(20-10-9-17(25-4)12-19(18)20)21(24)15-5-7-16(22)8-6-15;1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h5-10,12-13H,11H2,1-4H3;3-10,14H,1-2H3;4-8,13H,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3/b;8-7+;;;;;;;;
InChIKeyMTFMYPLEYXASNX-AAZDJIGVSA-N
XLogP38.93
TPSA148.34 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001981.01
LogP ≤ 538.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole
CID 158348134
(4-chlorophenyl)-(3-ethyl-5-methoxyindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 158676530
3-tert-butyl-5-fluoro-1H-indole;5-chloro-3-ethyl-2-methyl-1H-indole;5,6-dichloro-3-ethyl-1H-indole;5,6-dichloro-3-ethyl-2-methyl-1H-indole;1-ethoxy-4-fluorobenzene;3-ethyl-5,7-difluoro-1H-indole;3-ethyl-5-fluoro-1-methylindole;3-ethyl-5-fluoro-2-methyl-1H-indole;1-ethylsulfanyl-4-fluorobenzene;1-(5-fluoro-1H-indol-3-yl)ethanone;N-(1-phenylpropyl)prop-2-enamide;1,2,3-trifluoro-5-propylbenzene
CID 160312515
3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine
CID 160395801
5-chloro-1,2-dimethylindole;5-chloro-2-methyl-1H-indole;2-(4-chlorophenyl)-5-methylfuran;bis(2,3-dimethylfuran);1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;5-fluoro-1,2-dimethylindole;5-fluoro-2-methyl-1H-indole;5-methoxy-1,2-dimethylindole;5-methoxy-2-methyl-1H-indole;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;2-methylthiophene;3-methylthiophene;1,2,5-trimethylindole
CID 160751164
[3-[10-(1-benzothiophen-2-ylmethyl)-8-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1H-pyrrolo[2,3-i][1]benzazepin-5-yl]-1H-indol-5-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 178069404

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole?
The IUPAC name of (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole (CID 159664476) is (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole.
What is the SMILES notation for (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole?
The canonical SMILES for (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole is CC(C)/C=C/c1c[nH]c2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)c1cc2cc(Cl)ccc2[nH]1.CC(C)c1cc2cc(F)ccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1sc2ccccc2c1Cl.COc1ccc2[nH]c(C(C)C)cc2c1.COc1ccc2c(c1)c(CC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole?
The InChIKey is MTFMYPLEYXASNX-AAZDJIGVSA-N. The full InChI is InChI=1S/C21H22ClNO2.C13H15N.C12H15NO.C12H15N.C11H12ClN.C11H11ClS.C11H12FN.C11H13N.C11H12O.C11H12S/c1-13(2)11-18-14(3)23(20-10-9-17(25-4)12-19(18)20)21(24)15-5-7-16(22)8-6-15;1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h5-10,12-13H,11H2,1-4H3;3-10,14H,1-2H3;4-8,13H,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3/b;8-7+;;;;;;;;.
What are the key properties of (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole?
(4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole has a molecular weight of 1981.01 g/mol, XLogP of 38.93, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methylpropyl)indol-1-yl]methanone;3-chloro-2-propan-2-yl-1-benzothiophene;5-chloro-2-propan-2-yl-1H-indole;5-fluoro-2-propan-2-yl-1H-indole;5-methoxy-2-propan-2-yl-1H-indole;3-[(E)-3-methylbut-1-enyl]-1H-indole;3-(2-methylpropyl)-1H-indole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1H-indole is sourced from PubChem (CID 159664476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).