N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C48H50F6N8O8 — CID 160905066

IUPACN-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(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.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n(CCCO)c2c1
InChIInChI=1S/2C24H25F3N4O4/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;1-23(2)9-12-35-22(34)31(23)17-7-8-18-19(14-17)30(10-4-11-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h2*3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)
InChIKeySQAKCGDWMFWTGZ-UHFFFAOYSA-N
MW980.96 g/mol
LogP9.63
Rot. Bonds12

About N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 160905066) has the molecular formula C48H50F6N8O8 and a molecular weight of 980.96 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;N-[6-(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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID160905066
Molecular FormulaC48H50F6N8O8
Molecular Weight980.96 g/mol
Exact Mass980.37
IUPAC NameN-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(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.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n(CCCO)c2c1
InChIInChI=1S/2C24H25F3N4O4/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;1-23(2)9-12-35-22(34)31(23)17-7-8-18-19(14-17)30(10-4-11-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h2*3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33)
InChIKeySQAKCGDWMFWTGZ-UHFFFAOYSA-N
XLogP9.63
TPSA193.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.96
LogP ≤ 59.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10187021
3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 58742734
N-[3-[[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 87392184
N-[3-[[1-[6-[2-(diethylamino)ethylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 87756883
N-[4-methyl-3-[[1-(6-morpholin-4-ylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87761922
bis(N-[1-(3-piperidin-1-ylpropyl)benzimidazol-2-yl]-4-(trifluoromethyl)benzamide);hydrate
CID 88821675
bis(N-[1-[3-(4-methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);hydrate
CID 88821868
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
CID 118396002
CID 118396002
N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688240
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688241
3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
CID 126688243

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;N-[6-(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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 160905066) is N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(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;N-[6-(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;N-[6-(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.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n(CCCO)c2c1.
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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is SQAKCGDWMFWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25F3N4O4/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;1-23(2)9-12-35-22(34)31(23)17-7-8-18-19(14-17)30(10-4-11-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27/h2*3,5-8,13-14,32H,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-[6-(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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 980.96 g/mol, XLogP of 9.63, 12 rotatable bonds, 4 hydrogen bond donors, and 12 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;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160905066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).