N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide

C25H21F3N4O3 — CID 4308696

IUPACN-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H21F3N4O3/c1-16(29-24(34)17-7-3-2-4-8-17)23-31-20-9-5-6-10-21(20)32(23)15-22(33)30-18-11-13-19(14-12-18)35-25(26,27)28/h2-14,16H,15H2,1H3,(H,29,34)(H,30,33)
InChIKeySAXPTUKHBPVOJM-UHFFFAOYSA-N
MW482.46 g/mol
LogP5.06
Rot. Bonds7

About N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4308696) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID4308696
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC NameN-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H21F3N4O3/c1-16(29-24(34)17-7-3-2-4-8-17)23-31-20-9-5-6-10-21(20)32(23)15-22(33)30-18-11-13-19(14-12-18)35-25(26,27)28/h2-14,16H,15H2,1H3,(H,29,34)(H,30,33)
InChIKeySAXPTUKHBPVOJM-UHFFFAOYSA-N
XLogP5.06
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 4308696) is N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is SAXPTUKHBPVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-16(29-24(34)17-7-3-2-4-8-17)23-31-20-9-5-6-10-21(20)32(23)15-22(33)30-18-11-13-19(14-12-18)35-25(26,27)28/h2-14,16H,15H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 482.46 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 4308696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).