4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole

C26H28F3N5 — CID 44568358

IUPAC4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(N3CCN(C4CCC(c5c[nH]c6ccccc56)CC4)CC3)cccc2[nH]1
InChIInChI=1S/C26H28F3N5/c27-26(28,29)25-31-22-6-3-7-23(24(22)32-25)34-14-12-33(13-15-34)18-10-8-17(9-11-18)20-16-30-21-5-2-1-4-19(20)21/h1-7,16-18,30H,8-15H2,(H,31,32)
InChIKeyXZYMEGJUWOQMQM-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.91
Rot. Bonds3

About 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole

4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 44568358) has the molecular formula C26H28F3N5 and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID44568358
Molecular FormulaC26H28F3N5
Molecular Weight467.54 g/mol
Exact Mass467.23
IUPAC Name4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(N3CCN(C4CCC(c5c[nH]c6ccccc56)CC4)CC3)cccc2[nH]1
InChIInChI=1S/C26H28F3N5/c27-26(28,29)25-31-22-6-3-7-23(24(22)32-25)34-14-12-33(13-15-34)18-10-8-17(9-11-18)20-16-30-21-5-2-1-4-19(20)21/h1-7,16-18,30H,8-15H2,(H,31,32)
InChIKeyXZYMEGJUWOQMQM-UHFFFAOYSA-N
XLogP5.91
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mavorixafor
CID 11256587
Toreforant
CID 23650961
Ag-24322
CID 135413565
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
PF-4708671
CID 51371303
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
BN-81,644
CID 9802572
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole (CID 44568358) is 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2c(N3CCN(C4CCC(c5c[nH]c6ccccc56)CC4)CC3)cccc2[nH]1.
What is the InChIKey of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is XZYMEGJUWOQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5/c27-26(28,29)25-31-22-6-3-7-23(24(22)32-25)34-14-12-33(13-15-34)18-10-8-17(9-11-18)20-16-30-21-5-2-1-4-19(20)21/h1-7,16-18,30H,8-15H2,(H,31,32).
What are the key properties of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 467.54 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 44568358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).