3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H22F2N4O2 — CID 25105698

IUPAC3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)
InChIKeyVQDSYSHRRXTEOA-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.67
Rot. Bonds5

About 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105698) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID25105698
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)
InChIKeyVQDSYSHRRXTEOA-UHFFFAOYSA-N
XLogP2.67
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105698) is 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is VQDSYSHRRXTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29).
What are the key properties of 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).