3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide

C23H24F2N4O5 — CID 126688584

IUPAC3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide
SMILES[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O5/c1-33-19-13-17-16(12-18(19)29-8-4-10-34-23(29)32)26-22(28(17)7-3-9-30)27-21(31)15-6-2-5-14(11-15)20(24)25/h2,5-6,11-13,20,30H,3-4,7-10H2,1H3,(H,26,27,31)/i1D3
InChIKeyMNEJKHLMHJFSFB-FIBGUPNXSA-N
MW477.48 g/mol
LogP3.96
Rot. Bonds9

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide (PubChem CID 126688584) has the molecular formula C23H24F2N4O5 and a molecular weight of 477.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide
PubChem CID126688584
Molecular FormulaC23H24F2N4O5
Molecular Weight477.48 g/mol
Exact Mass477.19
IUPAC Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide
SMILES[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O5/c1-33-19-13-17-16(12-18(19)29-8-4-10-34-23(29)32)26-22(28(17)7-3-9-30)27-21(31)15-6-2-5-14(11-15)20(24)25/h2,5-6,11-13,20,30H,3-4,7-10H2,1H3,(H,26,27,31)/i1D3
InChIKeyMNEJKHLMHJFSFB-FIBGUPNXSA-N
XLogP3.96
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 126667231
3-fluoro-N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]benzamide
CID 44143061
Methyl 4-[5-ethoxy-1-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]benzimidazol-2-yl]-2,2-dimethylbutanoate
CID 162651442
N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide
CID 162661314
N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]benzamide
CID 44143051
N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]-3-methylbenzamide
CID 44143065
4-methoxy-N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]benzamide
CID 665981
Ethyl 4-{[5-(4-methoxybenzamido)-1-(propan-2-YL)-1H-1,3-benzodiazol-2-YL]methyl}piperazine-1-carboxylate
CID 16015040
2-fluoro-N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]benzamide
CID 44143062
4-fluoro-N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]benzamide
CID 44143064
4-fluoro-N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
CID 75410999
benzyl N-[3-[5-carbamoyl-7-methoxy-2-[(1-methylpiperidine-4-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
CID 155563036

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide (CID 126688584) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide is [2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide?
The InChIKey is MNEJKHLMHJFSFB-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H24F2N4O5/c1-33-19-13-17-16(12-18(19)29-8-4-10-34-23(29)32)26-22(28(17)7-3-9-30)27-21(31)15-6-2-5-14(11-15)20(24)25/h2,5-6,11-13,20,30H,3-4,7-10H2,1H3,(H,26,27,31)/i1D3.
What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide has a molecular weight of 477.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).