1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole

C22H25F3N4 — CID 22958604

IUPAC1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
SMILESCn1c(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H25F3N4/c1-27-20-9-3-2-8-19(20)26-21(27)10-5-11-28-12-14-29(15-13-28)18-7-4-6-17(16-18)22(23,24)25/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyAOBLFWZFSRWNTN-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.35
Rot. Bonds5

About 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole

1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole (PubChem CID 22958604) has the molecular formula C22H25F3N4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
PubChem CID22958604
Molecular FormulaC22H25F3N4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
SMILESCn1c(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H25F3N4/c1-27-20-9-3-2-8-19(20)26-21(27)10-5-11-28-12-14-29(15-13-28)18-7-4-6-17(16-18)22(23,24)25/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyAOBLFWZFSRWNTN-UHFFFAOYSA-N
XLogP4.35
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617050
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(2-methoxyethyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 10277233
ethanol;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-(trifluoromethyl)benzenethiol
CID 167443695
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
4-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 14126759
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole (CID 22958604) is 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole is Cn1c(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole?
The InChIKey is AOBLFWZFSRWNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4/c1-27-20-9-3-2-8-19(20)26-21(27)10-5-11-28-12-14-29(15-13-28)18-7-4-6-17(16-18)22(23,24)25/h2-4,6-9,16H,5,10-15H2,1H3.
What are the key properties of 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole?
1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole has a molecular weight of 402.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole is sourced from PubChem (CID 22958604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).