NWJJXWCZSZMWDB-FIBGUPNXSA-N

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

C₂₃H₂₃F₃N₄O₅ — CID 126688275

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

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

SMILES[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO

InChIInChI=1S/C23H23F3N4O5/c1-34-19-13-17-16(12-18(19)30-8-4-10-35-22(30)33)27-21(29(17)7-3-9-31)28-20(32)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11-13,31H,3-4,7-10H2,1H3,(H,27,28,32)/i1D3

InChIKeyNWJJXWCZSZMWDB-FIBGUPNXSA-N

MW495.47 g/mol

LogP4.05

Rot. Bonds8

About NWJJXWCZSZMWDB-FIBGUPNXSA-N

NWJJXWCZSZMWDB-FIBGUPNXSA-N (PubChem CID 126688275) has the molecular formula C₂₃H₂₃F₃N₄O₅ and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name	NWJJXWCZSZMWDB-FIBGUPNXSA-N
PubChem CID	126688275
Molecular Formula	C₂₃H₂₃F₃N₄O₅
Molecular Weight	495.47 g/mol
Exact Mass	495.18
IUPAC Name	N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILES	[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChI	InChI=1S/C23H23F3N4O5/c1-34-19-13-17-16(12-18(19)30-8-4-10-35-22(30)33)27-21(29(17)7-3-9-31)28-20(32)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11-13,31H,3-4,7-10H2,1H3,(H,27,28,32)/i1D3
InChIKey	NWJJXWCZSZMWDB-FIBGUPNXSA-N
XLogP	4.05
TPSA	105.92 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of NWJJXWCZSZMWDB-FIBGUPNXSA-N (CID 126688275) is N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for NWJJXWCZSZMWDB-FIBGUPNXSA-N?

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

What is the InChIKey of NWJJXWCZSZMWDB-FIBGUPNXSA-N?

The InChIKey is NWJJXWCZSZMWDB-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c1-34-19-13-17-16(12-18(19)30-8-4-10-35-22(30)33)27-21(29(17)7-3-9-31)28-20(32)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11-13,31H,3-4,7-10H2,1H3,(H,27,28,32)/i1D3.

What are the key properties of NWJJXWCZSZMWDB-FIBGUPNXSA-N?

NWJJXWCZSZMWDB-FIBGUPNXSA-N has a molecular weight of 495.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NWJJXWCZSZMWDB-FIBGUPNXSA-N is sourced from PubChem (CID 126688275), 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 126688275 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.