3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C23H24F2N4O5 — CID 126688412

IUPAC3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O5/c1-33-19-12-17-16(11-18(19)28-7-9-34-13-20(28)31)26-23(29(17)6-3-8-30)27-22(32)15-5-2-4-14(10-15)21(24)25/h2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32)
InChIKeyLSFYHWDVISZJLI-UHFFFAOYSA-N
MW474.46 g/mol
LogP2.98
Rot. Bonds8

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688412) has the molecular formula C23H24F2N4O5 and a molecular weight of 474.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688412
Molecular FormulaC23H24F2N4O5
Molecular Weight474.46 g/mol
Exact Mass474.17
IUPAC Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O5/c1-33-19-12-17-16(11-18(19)28-7-9-34-13-20(28)31)26-23(29(17)6-3-8-30)27-22(32)15-5-2-4-14(10-15)21(24)25/h2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32)
InChIKeyLSFYHWDVISZJLI-UHFFFAOYSA-N
XLogP2.98
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688412) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is LSFYHWDVISZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5/c1-33-19-12-17-16(11-18(19)28-7-9-34-13-20(28)31)26-23(29(17)6-3-8-30)27-22(32)15-5-2-4-14(10-15)21(24)25/h2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 474.46 g/mol, XLogP of 2.98, 8 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)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).