[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C25H24F3N5O — CID 151924227

IUPAC[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ccc(C3=CCN=CC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H24F3N5O/c26-25(27,28)20-4-1-17(2-5-20)16-32-11-13-33(14-12-32)24(34)23-30-21-6-3-19(15-22(21)31-23)18-7-9-29-10-8-18/h1-7,10,15H,8-9,11-14,16H2,(H,30,31)
InChIKeySXKIMFNWNZHEEZ-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.40
Rot. Bonds4

About [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 151924227) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID151924227
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ccc(C3=CCN=CC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H24F3N5O/c26-25(27,28)20-4-1-17(2-5-20)16-32-11-13-33(14-12-32)24(34)23-30-21-6-3-19(15-22(21)31-23)18-7-9-29-10-8-18/h1-7,10,15H,8-9,11-14,16H2,(H,30,31)
InChIKeySXKIMFNWNZHEEZ-UHFFFAOYSA-N
XLogP4.40
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 151924227) is [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1nc2ccc(C3=CCN=CC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is SXKIMFNWNZHEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c26-25(27,28)20-4-1-17(2-5-20)16-32-11-13-33(14-12-32)24(34)23-30-21-6-3-19(15-22(21)31-23)18-7-9-29-10-8-18/h1-7,10,15H,8-9,11-14,16H2,(H,30,31).
What are the key properties of [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 467.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 151924227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).