N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O4 — CID 126688380

IUPACN-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)CCN(c2ccc3nc(NC(=O)c4cccc(C(F)(F)F)c4)n(CCCO)c3c2)C(=O)O1
InChIInChI=1S/C24H25F3N4O4/c1-23(2)9-11-30(22(34)35-23)17-7-8-18-19(14-17)31(10-4-12-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)
InChIKeyOWCYROSFGAYMJV-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.82
Rot. Bonds6

About N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688380) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688380
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)CCN(c2ccc3nc(NC(=O)c4cccc(C(F)(F)F)c4)n(CCCO)c3c2)C(=O)O1
InChIInChI=1S/C24H25F3N4O4/c1-23(2)9-11-30(22(34)35-23)17-7-8-18-19(14-17)31(10-4-12-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)
InChIKeyOWCYROSFGAYMJV-UHFFFAOYSA-N
XLogP4.82
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)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-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688380) is N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC1(C)CCN(c2ccc3nc(NC(=O)c4cccc(C(F)(F)F)c4)n(CCCO)c3c2)C(=O)O1.
What is the InChIKey of N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OWCYROSFGAYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-23(2)9-11-30(22(34)35-23)17-7-8-18-19(14-17)31(10-4-12-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33).
What are the key properties of N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 490.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).