NCXJISVSSGUYGP-CQSZACIVSA-N

C₂₄H₂₆F₂N₄O₅ — CID 126688256

About NCXJISVSSGUYGP-CQSZACIVSA-N

NCXJISVSSGUYGP-CQSZACIVSA-N (PubChem CID 126688256) has the molecular formula C₂₄H₂₆F₂N₄O₅ and a molecular weight of 488.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: NCXJISVSSGUYGP-CQSZACIVSA-N
• PubChem CID: 126688256
• Molecular Formula: C₂₄H₂₆F₂N₄O₅
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.19
• IUPAC Name: 3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
• SMILES: COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2[C@H](C)CCO
• InChI: InChI=1S/C24H26F2N4O5/c1-14(6-8-31)30-18-12-20(34-2)19(29-7-9-35-13-21(29)32)11-17(18)27-24(30)28-23(33)16-5-3-4-15(10-16)22(25)26/h3-5,10-12,14,22,31H,6-9,13H2,1-2H3,(H,27,28,33)/t14-/m1/s1
• InChIKey: NCXJISVSSGUYGP-CQSZACIVSA-N
• XLogP: 3.54
• TPSA: 105.92 Ų
• 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	488.49
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of NCXJISVSSGUYGP-CQSZACIVSA-N?

The IUPAC name of NCXJISVSSGUYGP-CQSZACIVSA-N (CID 126688256) is 3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

What is the SMILES notation for NCXJISVSSGUYGP-CQSZACIVSA-N?

The canonical SMILES for NCXJISVSSGUYGP-CQSZACIVSA-N is COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2[C@H](C)CCO.

What is the InChIKey of NCXJISVSSGUYGP-CQSZACIVSA-N?

The InChIKey is NCXJISVSSGUYGP-CQSZACIVSA-N. The full InChI is InChI=1S/C24H26F2N4O5/c1-14(6-8-31)30-18-12-20(34-2)19(29-7-9-35-13-21(29)32)11-17(18)27-24(30)28-23(33)16-5-3-4-15(10-16)22(25)26/h3-5,10-12,14,22,31H,6-9,13H2,1-2H3,(H,27,28,33)/t14-/m1/s1.

What are the key properties of NCXJISVSSGUYGP-CQSZACIVSA-N?

NCXJISVSSGUYGP-CQSZACIVSA-N has a molecular weight of 488.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NCXJISVSSGUYGP-CQSZACIVSA-N is sourced from PubChem (CID 126688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126688256 — identifiers, structure, computed properties (public domain)

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