4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
C196H238Cl2N32O4 — CID 159897963
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1cc(C#N)c2cc[nH]c2c1.CC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ccc12.Cc1cc(C(C)C)cc2[nH]ncc12
InChIInChI=1S/C14H20N2.C13H19N.C12H12N2.C12H15N.C12H13N.C12H17N.C11H12ClN.C11H14N2.C11H11NO2.2C11H13NO.C11H13N.C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-8(2)9-5-10(7-13)11-3-4-14-12(11)6-9;1-8(2)10-6-9(3)11-4-5-13-12(11)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-6,8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyNVOXMGANDNJERM-UHFFFAOYSA-N
MW3177.19 g/mol
LogP48.36
Rot. Bonds20
About 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 159897963) has the molecular formula C196H238Cl2N32O4 and a molecular weight of 3177.19 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
Molecular Properties
| Compound Name | 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline |
|---|---|
| PubChem CID | 159897963 |
| Molecular Formula | C196H238Cl2N32O4 |
| Molecular Weight | 3177.19 g/mol |
| Exact Mass | 3173.88 |
| IUPAC Name | 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline |
| SMILES | CC(C)c1cc(C#N)c2cc[nH]c2c1.CC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ccc12.Cc1cc(C(C)C)cc2[nH]ncc12 |
| InChI | InChI=1S/C14H20N2.C13H19N.C12H12N2.C12H15N.C12H13N.C12H17N.C11H12ClN.C11H14N2.C11H11NO2.2C11H13NO.C11H13N.C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-8(2)9-5-10(7-13)11-3-4-14-12(11)6-9;1-8(2)10-6-9(3)11-4-5-13-12(11)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-6,8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12) |
| InChIKey | NVOXMGANDNJERM-UHFFFAOYSA-N |
| XLogP | 48.36 |
| TPSA | 505.65 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 234 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3177.19 |
| LogP ≤ 5 | 48.36 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 159897963) is 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)c1cc(C#N)c2cc[nH]c2c1.CC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ccc12.Cc1cc(C(C)C)cc2[nH]ncc12.
What is the InChIKey of 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NVOXMGANDNJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C13H19N.C12H12N2.C12H15N.C12H13N.C12H17N.C11H12ClN.C11H14N2.C11H11NO2.2C11H13NO.C11H13N.C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-8(2)9-5-10(7-13)11-3-4-14-12(11)6-9;1-8(2)10-6-9(3)11-4-5-13-12(11)7-10;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-6,8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 3177.19 g/mol, XLogP of 48.36, 20 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;4-methyl-6-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-1H-indole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole-4-carbonitrile;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 159897963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159897963 — identifiers, structure, computed properties (public domain)
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