3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C27H25F2N5O5 — CID 126688247

IUPAC3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1
InChIInChI=1S/C27H25F2N5O5/c28-26(29)34-9-7-18(14-23(34)36)17-3-1-4-19(13-17)25(38)31-27-30-21-15-20(32-10-12-39-16-24(32)37)5-6-22(21)33(27)8-2-11-35/h1,3-7,9,13-15,26,35H,2,8,10-12,16H2,(H,30,31,38)
InChIKeyCXIVAXOHPVWVPK-UHFFFAOYSA-N
MW537.52 g/mol
LogP3.26
Rot. Bonds8

About 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688247) has the molecular formula C27H25F2N5O5 and a molecular weight of 537.52 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688247
Molecular FormulaC27H25F2N5O5
Molecular Weight537.52 g/mol
Exact Mass537.18
IUPAC Name3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1
InChIInChI=1S/C27H25F2N5O5/c28-26(29)34-9-7-18(14-23(34)36)17-3-1-4-19(13-17)25(38)31-27-30-21-15-20(32-10-12-39-16-24(32)37)5-6-22(21)33(27)8-2-11-35/h1,3-7,9,13-15,26,35H,2,8,10-12,16H2,(H,30,31,38)
InChIKeyCXIVAXOHPVWVPK-UHFFFAOYSA-N
XLogP3.26
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688247) is 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1.
What is the InChIKey of 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is CXIVAXOHPVWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O5/c28-26(29)34-9-7-18(14-23(34)36)17-3-1-4-19(13-17)25(38)31-27-30-21-15-20(32-10-12-39-16-24(32)37)5-6-22(21)33(27)8-2-11-35/h1,3-7,9,13-15,26,35H,2,8,10-12,16H2,(H,30,31,38).
What are the key properties of 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 537.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).