N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C26H26F3N5O4 — CID 126688424

IUPACN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1
InChIInChI=1S/C26H26F3N5O4/c1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37)
InChIKeyUNRPMSIJVDRNSS-UHFFFAOYSA-N
MW529.52 g/mol
LogP3.85
Rot. Bonds4

About N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688424) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688424
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1
InChIInChI=1S/C26H26F3N5O4/c1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37)
InChIKeyUNRPMSIJVDRNSS-UHFFFAOYSA-N
XLogP3.85
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[5-(2,2-dimethylpropanoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688424) is N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is UNRPMSIJVDRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37).
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 529.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).