N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide

C21H22F2N4O2 — CID 15990254

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C21H22F2N4O2/c1-25-17-11-15(24-20(28)19-13(22)7-6-8-14(19)23)16(27-9-4-3-5-10-27)12-18(17)26(2)21(25)29/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyXFPLCKFERRMQQW-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.40
Rot. Bonds3

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide (PubChem CID 15990254) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide
PubChem CID15990254
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C21H22F2N4O2/c1-25-17-11-15(24-20(28)19-13(22)7-6-8-14(19)23)16(27-9-4-3-5-10-27)12-18(17)26(2)21(25)29/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyXFPLCKFERRMQQW-UHFFFAOYSA-N
XLogP3.40
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide (CID 15990254) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The InChIKey is XFPLCKFERRMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-25-17-11-15(24-20(28)19-13(22)7-6-8-14(19)23)16(27-9-4-3-5-10-27)12-18(17)26(2)21(25)29/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide has a molecular weight of 400.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 15990254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).