3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide

C24H25F2N5O3 — CID 126688336

IUPAC3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F2N5O3/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33)
InChIKeyNDJIIYUYGQKFMO-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.51
Rot. Bonds5

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

3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide (PubChem CID 126688336) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide
PubChem CID126688336
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F2N5O3/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33)
InChIKeyNDJIIYUYGQKFMO-UHFFFAOYSA-N
XLogP3.51
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide (CID 126688336) is 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide?
The InChIKey is NDJIIYUYGQKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33).
What are the key properties of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide has a molecular weight of 469.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).