6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole

C20H22F3N5 — CID 91205175

IUPAC6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
SMILESCC(C)C1CN(c2ccc3nc(C(F)(F)F)[nH]c3c2)C(Cc2ccncc2)N1
InChIInChI=1S/C20H22F3N5/c1-12(2)17-11-28(18(25-17)9-13-5-7-24-8-6-13)14-3-4-15-16(10-14)27-19(26-15)20(21,22)23/h3-8,10,12,17-18,25H,9,11H2,1-2H3,(H,26,27)
InChIKeyNYNKPSWPSOUSRE-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.98
Rot. Bonds4

About 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole

6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 91205175) has the molecular formula C20H22F3N5 and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID91205175
Molecular FormulaC20H22F3N5
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
SMILESCC(C)C1CN(c2ccc3nc(C(F)(F)F)[nH]c3c2)C(Cc2ccncc2)N1
InChIInChI=1S/C20H22F3N5/c1-12(2)17-11-28(18(25-17)9-13-5-7-24-8-6-13)14-3-4-15-16(10-14)27-19(26-15)20(21,22)23/h3-8,10,12,17-18,25H,9,11H2,1-2H3,(H,26,27)
InChIKeyNYNKPSWPSOUSRE-UHFFFAOYSA-N
XLogP3.98
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 23110039
2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
CID 162615527
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
3-[5-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,5-thiadiazolidin-2-yl]pyrrolidine-1-carbonitrile
CID 129195086
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
(3S)-1-(2-methylpropyl)-5-oxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 37245390
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 156898005
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 72936321

Frequently Asked Questions

What is the IUPAC name of 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole (CID 91205175) is 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole is CC(C)C1CN(c2ccc3nc(C(F)(F)F)[nH]c3c2)C(Cc2ccncc2)N1.
What is the InChIKey of 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is NYNKPSWPSOUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5/c1-12(2)17-11-28(18(25-17)9-13-5-7-24-8-6-13)14-3-4-15-16(10-14)27-19(26-15)20(21,22)23/h3-8,10,12,17-18,25H,9,11H2,1-2H3,(H,26,27).
What are the key properties of 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole?
6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 389.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 91205175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).