5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

C152H199ClF3N21O4 — CID 159782874

IUPAC5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
SMILESC.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=NC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1cc2oc(C(C)C)nc2cc1Cl.Cc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.2C12H15N.C11H12ClNO.C11H14N2.C11H13N.C10H12N2.C7H11N.3C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)11-13-9-5-8(12)7(3)4-10(9)14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;4-5H,3H2,1-2H3;2*3-6H,1-2H3;1H4
InChIKeyNHOVKNPQYUKBSM-UHFFFAOYSA-N
MW2476.85 g/mol
LogP40.02
Rot. Bonds21

About 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (PubChem CID 159782874) has the molecular formula C152H199ClF3N21O4 and a molecular weight of 2476.85 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.

Molecular Properties

Compound Name5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
PubChem CID159782874
Molecular FormulaC152H199ClF3N21O4
Molecular Weight2476.85 g/mol
Exact Mass2474.57
IUPAC Name5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
SMILESC.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=NC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1cc2oc(C(C)C)nc2cc1Cl.Cc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.2C12H15N.C11H12ClNO.C11H14N2.C11H13N.C10H12N2.C7H11N.3C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)11-13-9-5-8(12)7(3)4-10(9)14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;4-5H,3H2,1-2H3;2*3-6H,1-2H3;1H4
InChIKeyNHOVKNPQYUKBSM-UHFFFAOYSA-N
XLogP40.02
TPSA263.74 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.85
LogP ≤ 540.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole with MolForge

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Launch Full Analysis

Related Compounds

US11596639, Example 646
CID 141720727
US11596639, Example 548
CID 141720768
US11596639, Example 527
CID 141720820
US11596639, Example 526
CID 141720862
US11596639, Example 648
CID 141720904
US11596639, Example 695
CID 141720930
US11596639, Example 700
CID 141720957
US11596639, Example 530
CID 141720988
US11596639, Example 647
CID 141720995
US11596639, Example 720
CID 141721146
US11596639, Example 583
CID 141721223
US11596639, Example 546
CID 141721320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (CID 159782874) is 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is C.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=NC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1cc2oc(C(C)C)nc2cc1Cl.Cc1ccc2c(c1)CC(C(C)C)=N2.
What is the InChIKey of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The InChIKey is NHOVKNPQYUKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.2C12H15N.C11H12ClNO.C11H14N2.C11H13N.C10H12N2.C7H11N.3C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)11-13-9-5-8(12)7(3)4-10(9)14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;4-5H,3H2,1-2H3;2*3-6H,1-2H3;1H4.
What are the key properties of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole has a molecular weight of 2476.85 g/mol, XLogP of 40.02, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 159782874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).