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

C24H26F2N4O4 — CID 126688277

IUPAC3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCCC(CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H26F2N4O4/c1-2-17(8-10-31)30-20-7-6-18(29-9-11-34-14-21(29)32)13-19(20)27-24(30)28-23(33)16-5-3-4-15(12-16)22(25)26/h3-7,12-13,17,22,31H,2,8-11,14H2,1H3,(H,27,28,33)
InChIKeyLPORPVNDZYMSIR-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.92
Rot. Bonds8

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

3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688277) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688277
Molecular FormulaC24H26F2N4O4
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC Name3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCCC(CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H26F2N4O4/c1-2-17(8-10-31)30-20-7-6-18(29-9-11-34-14-21(29)32)13-19(20)27-24(30)28-23(33)16-5-3-4-15(12-16)22(25)26/h3-7,12-13,17,22,31H,2,8-11,14H2,1H3,(H,27,28,33)
InChIKeyLPORPVNDZYMSIR-UHFFFAOYSA-N
XLogP3.92
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688277) is 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is CCC(CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is LPORPVNDZYMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-2-17(8-10-31)30-20-7-6-18(29-9-11-34-14-21(29)32)13-19(20)27-24(30)28-23(33)16-5-3-4-15(12-16)22(25)26/h3-7,12-13,17,22,31H,2,8-11,14H2,1H3,(H,27,28,33).
What are the key properties of 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 472.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).