N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O4 — CID 126688535

IUPACN-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/C24H25F3N4O4/c1-23(2)9-12-35-22(34)31(23)17-7-8-19-18(14-17)28-21(30(19)10-4-11-32)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)
InChIKeyZBTOQWDJBRQRPB-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.82
Rot. Bonds6

About N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688535) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688535
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/C24H25F3N4O4/c1-23(2)9-12-35-22(34)31(23)17-7-8-19-18(14-17)28-21(30(19)10-4-11-32)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)
InChIKeyZBTOQWDJBRQRPB-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688535) is N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.
What is the InChIKey of N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZBTOQWDJBRQRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-23(2)9-12-35-22(34)31(23)17-7-8-19-18(14-17)28-21(30(19)10-4-11-32)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-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(4,4-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-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).