1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole

C153H170Cl12FN25O4S2 — CID 159023974

IUPAC1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole
SMILESCC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CC(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C14H14ClN.2C13H13ClN2.C12H13ClFN3O2S.C12H14ClN3O2S.C12H14ClN3.C12H14ClN.C12H15N.2C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;2*1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-10H,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13)
InChIKeyJUBGBNRTPUEZLN-UHFFFAOYSA-N
MW2931.78 g/mol
LogP45.24
Rot. Bonds21

About 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole (PubChem CID 159023974) has the molecular formula C153H170Cl12FN25O4S2 and a molecular weight of 2931.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole
PubChem CID159023974
Molecular FormulaC153H170Cl12FN25O4S2
Molecular Weight2931.78 g/mol
Exact Mass2923.96
IUPAC Name1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole
SMILESCC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CC(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C14H14ClN.2C13H13ClN2.C12H13ClFN3O2S.C12H14ClN3O2S.C12H14ClN3.C12H14ClN.C12H15N.2C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;2*1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-10H,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13)
InChIKeyJUBGBNRTPUEZLN-UHFFFAOYSA-N
XLogP45.24
TPSA343.51 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.78
LogP ≤ 545.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole?
The IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole (CID 159023974) is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole.
What is the SMILES notation for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole?
The canonical SMILES for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole is CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CC(C)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole?
The InChIKey is JUBGBNRTPUEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN.2C13H13ClN2.C12H13ClFN3O2S.C12H14ClN3O2S.C12H14ClN3.C12H14ClN.C12H15N.2C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;2*1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-10H,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13).
What are the key properties of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole?
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole has a molecular weight of 2931.78 g/mol, XLogP of 45.24, 21 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(5-chloro-1-methyl-7-propan-2-ylindazole);5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole is sourced from PubChem (CID 159023974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).