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

C20H21F3N4 — CID 46225320

IUPAC1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21
InChIInChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3
InChIKeyAZMYNGIYMRISBA-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.91
Rot. Bonds3

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

1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole (PubChem CID 46225320) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
PubChem CID46225320
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21
InChIInChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3
InChIKeyAZMYNGIYMRISBA-UHFFFAOYSA-N
XLogP3.91
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzoic acid
CID 171780051
ethanol;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-(trifluoromethyl)benzenethiol
CID 167443695
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
4-methyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443603
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
4-ethoxy-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443750
hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide
CID 167443549
1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
CID 22958604
1-(2-bromoethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 80667654

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole (CID 46225320) is 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole is Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole?
The InChIKey is AZMYNGIYMRISBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3.
What are the key properties of 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole?
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole has a molecular weight of 374.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 46225320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).