3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide

C24H20F3N5O4 — CID 55461087

IUPAC3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1
InChIInChI=1S/C24H20F3N5O4/c1-13(33)28-17-8-15(9-18(11-17)29-14(2)34)22(35)31-23-30-20-10-16(24(25,26)27)5-6-21(20)32(23)12-19-4-3-7-36-19/h3-11H,12H2,1-2H3,(H,28,33)(H,29,34)(H,30,31,35)
InChIKeyBDWYEJSHMSFOKJ-UHFFFAOYSA-N
MW499.45 g/mol
LogP4.87
Rot. Bonds6

About 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide

3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide (PubChem CID 55461087) has the molecular formula C24H20F3N5O4 and a molecular weight of 499.45 g/mol. Its IUPAC name is 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
PubChem CID55461087
Molecular FormulaC24H20F3N5O4
Molecular Weight499.45 g/mol
Exact Mass499.15
IUPAC Name3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1
InChIInChI=1S/C24H20F3N5O4/c1-13(33)28-17-8-15(9-18(11-17)29-14(2)34)22(35)31-23-30-20-10-16(24(25,26)27)5-6-21(20)32(23)12-19-4-3-7-36-19/h3-11H,12H2,1-2H3,(H,28,33)(H,29,34)(H,30,31,35)
InChIKeyBDWYEJSHMSFOKJ-UHFFFAOYSA-N
XLogP4.87
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide (CID 55461087) is 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1.
What is the InChIKey of 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The InChIKey is BDWYEJSHMSFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4/c1-13(33)28-17-8-15(9-18(11-17)29-14(2)34)22(35)31-23-30-20-10-16(24(25,26)27)5-6-21(20)32(23)12-19-4-3-7-36-19/h3-11H,12H2,1-2H3,(H,28,33)(H,29,34)(H,30,31,35).
What are the key properties of 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide has a molecular weight of 499.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 55461087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).