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

C24H24F2N4O4 — CID 126688261

IUPAC3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H24F2N4O4/c25-21(26)15-2-1-3-16(10-15)22(33)28-23-27-18-11-17(29-8-9-34-12-20(29)32)4-5-19(18)30(23)13-24(14-31)6-7-24/h1-5,10-11,21,31H,6-9,12-14H2,(H,27,28,33)
InChIKeyBALDCRJGWLOTRV-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.36
Rot. Bonds7

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

3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688261) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688261
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H24F2N4O4/c25-21(26)15-2-1-3-16(10-15)22(33)28-23-27-18-11-17(29-8-9-34-12-20(29)32)4-5-19(18)30(23)13-24(14-31)6-7-24/h1-5,10-11,21,31H,6-9,12-14H2,(H,27,28,33)
InChIKeyBALDCRJGWLOTRV-UHFFFAOYSA-N
XLogP3.36
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.36
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-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688261) is 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is BALDCRJGWLOTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c25-21(26)15-2-1-3-16(10-15)22(33)28-23-27-18-11-17(29-8-9-34-12-20(29)32)4-5-19(18)30(23)13-24(14-31)6-7-24/h1-5,10-11,21,31H,6-9,12-14H2,(H,27,28,33).
What are the key properties of 3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 470.48 g/mol, XLogP of 3.36, 7 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-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).