6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

C24H21F3N4 — CID 67062523

IUPAC6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1
InChIInChI=1S/C24H21F3N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30)
InChIKeyOWFXPIHXLMGXAA-UHFFFAOYSA-N
MW422.45 g/mol
LogP5.98
Rot. Bonds4

About 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 67062523) has the molecular formula C24H21F3N4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID67062523
Molecular FormulaC24H21F3N4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1
InChIInChI=1S/C24H21F3N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30)
InChIKeyOWFXPIHXLMGXAA-UHFFFAOYSA-N
XLogP5.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole
CID 67062553
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
CID 117074853
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
2-phenyl-1-[(2S)-2-[6-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 160567212
2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 44526395
6-chloro-2-[(2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 124886715
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
5-[[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42096814
6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 123588844

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (CID 67062523) is 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is FC(F)(F)c1cccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)c1.
What is the InChIKey of 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is OWFXPIHXLMGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4/c25-24(26,27)19-4-1-3-16(13-19)15-31-12-2-5-22(31)23-29-20-7-6-18(14-21(20)30-23)17-8-10-28-11-9-17/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H,29,30).
What are the key properties of 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 422.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 67062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).