1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C75H69F5N12O4 — CID 158523627

IUPAC1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1cnc2ccccc21
InChIInChI=1S/C19H16F3N3O.C19H17F2N3O.C19H19N3O.C18H17N3O/c20-19(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;20-18(21)19-22-15-6-2-4-8-17(15)24(19)12-14(25)11-23-10-9-13-5-1-3-7-16(13)23;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;22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,14,26H,11-12H2;1-10,14,18,25H,11-12H2;2-11,16,23H,12-13H2,1H3;1-10,13,15,22H,11-12H2
InChIKeyHMNDMXWQOVKVHK-UHFFFAOYSA-N
MW1297.45 g/mol
LogP14.47
Rot. Bonds17

About 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 158523627) has the molecular formula C75H69F5N12O4 and a molecular weight of 1297.45 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID158523627
Molecular FormulaC75H69F5N12O4
Molecular Weight1297.45 g/mol
Exact Mass1296.55
IUPAC Name1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1cnc2ccccc21
InChIInChI=1S/C19H16F3N3O.C19H17F2N3O.C19H19N3O.C18H17N3O/c20-19(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;20-18(21)19-22-15-6-2-4-8-17(15)24(19)12-14(25)11-23-10-9-13-5-1-3-7-16(13)23;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;22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,14,26H,11-12H2;1-10,14,18,25H,11-12H2;2-11,16,23H,12-13H2,1H3;1-10,13,15,22H,11-12H2
InChIKeyHMNDMXWQOVKVHK-UHFFFAOYSA-N
XLogP14.47
TPSA171.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.45
LogP ≤ 514.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-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-(5-fluoro-2,3-dimethyl-1H-indol-1-yl)-3-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]propan-2-ol
CID 17028224
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
1-Carbazol-9-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 117982137
1-Indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 117982138

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 158523627) is 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-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-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1c(C(F)F)nc2ccccc21.OC(Cn1ccc2ccccc21)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is HMNDMXWQOVKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O.C19H17F2N3O.C19H19N3O.C18H17N3O/c20-19(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;20-18(21)19-22-15-6-2-4-8-17(15)24(19)12-14(25)11-23-10-9-13-5-1-3-7-16(13)23;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;22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,14,26H,11-12H2;1-10,14,18,25H,11-12H2;2-11,16,23H,12-13H2,1H3;1-10,13,15,22H,11-12H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 1297.45 g/mol, XLogP of 14.47, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol;1-[2-(difluoromethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;1-indol-1-yl-3-(2-methylbenzimidazol-1-yl)propan-2-ol;1-indol-1-yl-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 158523627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).