MNEJKHLMHJFSFB-FIBGUPNXSA-N

Name: MNEJKHLMHJFSFB-FIBGUPNXSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₄F₂N₄O₅ — CID 126688584

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 MNEJKHLMHJFSFB-FIBGUPNXSA-N

MNEJKHLMHJFSFB-FIBGUPNXSA-N (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 Name	MNEJKHLMHJFSFB-FIBGUPNXSA-N
PubChem CID	126688584
Molecular Formula	C₂₃H₂₄F₂N₄O₅
Molecular Weight	477.48 g/mol
Exact Mass	477.19
IUPAC Name	3-(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
InChI	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
InChIKey	MNEJKHLMHJFSFB-FIBGUPNXSA-N
XLogP	3.96
TPSA	105.92 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.48
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of MNEJKHLMHJFSFB-FIBGUPNXSA-N?

The IUPAC name of MNEJKHLMHJFSFB-FIBGUPNXSA-N (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 MNEJKHLMHJFSFB-FIBGUPNXSA-N?

The canonical SMILES for MNEJKHLMHJFSFB-FIBGUPNXSA-N is [2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.

What is the InChIKey of MNEJKHLMHJFSFB-FIBGUPNXSA-N?

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 MNEJKHLMHJFSFB-FIBGUPNXSA-N?

MNEJKHLMHJFSFB-FIBGUPNXSA-N 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 MNEJKHLMHJFSFB-FIBGUPNXSA-N is sourced from PubChem (CID 126688584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 126688584 — identifiers, structure, computed properties (public domain)

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