N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O3 — CID 126688374

IUPACN-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21
InChIInChI=1S/C24H25F3N4O3/c1-23(2,3)14-31-19-9-8-17(30-10-5-11-34-22(30)33)13-18(19)28-21(31)29-20(32)15-6-4-7-16(12-15)24(25,26)27/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,28,29,32)
InChIKeyIRNBYVNBDKDNHL-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.70
Rot. Bonds4

About N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688374) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688374
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21
InChIInChI=1S/C24H25F3N4O3/c1-23(2,3)14-31-19-9-8-17(30-10-5-11-34-22(30)33)13-18(19)28-21(31)29-20(32)15-6-4-7-16(12-15)24(25,26)27/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,28,29,32)
InChIKeyIRNBYVNBDKDNHL-UHFFFAOYSA-N
XLogP5.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688374) is N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(C)(C)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IRNBYVNBDKDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-23(2,3)14-31-19-9-8-17(30-10-5-11-34-22(30)33)13-18(19)28-21(31)29-20(32)15-6-4-7-16(12-15)24(25,26)27/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,28,29,32).
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).