1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C77H73F3N10O4 — CID 157146301

IUPAC1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc2ccccc2n1CC(O)Cn1ccc2ccccc21.Cc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1ccc2ccccc21
InChIInChI=1S/C20H20N2O.C19H16F3N3O.C19H19N3O.C19H18N2O/c1-15-12-17-7-3-5-9-20(17)22(15)14-18(23)13-21-11-10-16-6-2-4-8-19(16)21;20-19(21,22)18-23-15-6-2-4-8-17(15)25(18)12-14(26)11-24-10-9-13-5-1-3-7-16(13)24;1-14-20-17-7-3-5-9-19(17)22(14)13-16(23)12-21-11-10-15-6-2-4-8-18(15)21;22-17(13-20-11-9-15-5-1-3-7-18(15)20)14-21-12-10-16-6-2-4-8-19(16)21/h2-12,18,23H,13-14H2,1H3;1-10,14,26H,11-12H2;2-11,16,23H,12-13H2,1H3;1-12,17,22H,13-14H2
InChIKeyAKSWIWBWYSVYFS-UHFFFAOYSA-N
MW1259.49 g/mol
LogP15.05
Rot. Bonds16

About 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 157146301) has the molecular formula C77H73F3N10O4 and a molecular weight of 1259.49 g/mol. Its IUPAC name is 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID157146301
Molecular FormulaC77H73F3N10O4
Molecular Weight1259.49 g/mol
Exact Mass1258.58
IUPAC Name1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc2ccccc2n1CC(O)Cn1ccc2ccccc21.Cc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1ccc2ccccc21
InChIInChI=1S/C20H20N2O.C19H16F3N3O.C19H19N3O.C19H18N2O/c1-15-12-17-7-3-5-9-20(17)22(15)14-18(23)13-21-11-10-16-6-2-4-8-19(16)21;20-19(21,22)18-23-15-6-2-4-8-17(15)25(18)12-14(26)11-24-10-9-13-5-1-3-7-16(13)24;1-14-20-17-7-3-5-9-19(17)22(14)13-16(23)12-21-11-10-15-6-2-4-8-18(15)21;22-17(13-20-11-9-15-5-1-3-7-18(15)20)14-21-12-10-16-6-2-4-8-19(16)21/h2-12,18,23H,13-14H2,1H3;1-10,14,26H,11-12H2;2-11,16,23H,12-13H2,1H3;1-12,17,22H,13-14H2
InChIKeyAKSWIWBWYSVYFS-UHFFFAOYSA-N
XLogP15.05
TPSA146.14 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.49
LogP ≤ 515.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol with MolForge

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Related Compounds

1-Carbazol-9-yl-3-(2-methyl-imidazol-1-yl)-propan-2-ol
CID 2855699
1-[2-(Hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
CID 2967179
1-(1H-benzimidazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol
CID 2968216
2-[[(3S,4R)-4-fluoro-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
CID 75410613
1-Carbazol-9-yl-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 145983663
1-(2-Benzyl-1H-1,3-benzodiazol-1-YL)-3-(1H-indol-1-YL)propan-2-OL
CID 2968123
1-(benzimidazol-1-yl)-3-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]propan-2-ol
CID 117982143
2-Propanol, 1,3-bis[bis[(1-ethyl-1H-benzimidazol-2-yl)methyl]amino]-
CID 5250855
N,N,N',N'-tetrakis-[(1-methyl-2-benzimidazolyl)methyl]-2-hydroxy-1,3-diamino-propane
CID 57572885
1-(2,3-Dimethylindolyl)-3-[2-(trifluoromethyl)benzimidazolyl]propan-2-ol
CID 17028437
3-[2-[4-Methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
CID 70906150
9-Phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
CID 87849614

Frequently Asked Questions

What is the IUPAC name of 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 157146301) is 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1cc2ccccc2n1CC(O)Cn1ccc2ccccc21.Cc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1ccc2ccccc21.
What is the InChIKey of 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is AKSWIWBWYSVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.C19H16F3N3O.C19H19N3O.C19H18N2O/c1-15-12-17-7-3-5-9-20(17)22(15)14-18(23)13-21-11-10-16-6-2-4-8-19(16)21;20-19(21,22)18-23-15-6-2-4-8-17(15)25(18)12-14(26)11-24-10-9-13-5-1-3-7-16(13)24;1-14-20-17-7-3-5-9-19(17)22(14)13-16(23)12-21-11-10-15-6-2-4-8-18(15)21;22-17(13-20-11-9-15-5-1-3-7-18(15)20)14-21-12-10-16-6-2-4-8-19(16)21/h2-12,18,23H,13-14H2,1H3;1-10,14,26H,11-12H2;2-11,16,23H,12-13H2,1H3;1-12,17,22H,13-14H2.
What are the key properties of 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 1259.49 g/mol, XLogP of 15.05, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(indol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-(2-methylindol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 157146301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).