N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide

C21H23FN4O2 — CID 24789878

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN4O2/c1-24-18-12-16(23-20(27)14-6-8-15(22)9-7-14)17(26-10-4-3-5-11-26)13-19(18)25(2)21(24)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,27)
InChIKeyXKHCLJDJEIGKMB-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.26
Rot. Bonds3

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 24789878) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID24789878
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN4O2/c1-24-18-12-16(23-20(27)14-6-8-15(22)9-7-14)17(26-10-4-3-5-11-26)13-19(18)25(2)21(24)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,27)
InChIKeyXKHCLJDJEIGKMB-UHFFFAOYSA-N
XLogP3.26
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3,5-dimethylphenyl)urea
CID 28867828
N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
CID 131897591
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide (CID 24789878) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is XKHCLJDJEIGKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-24-18-12-16(23-20(27)14-6-8-15(22)9-7-14)17(26-10-4-3-5-11-26)13-19(18)25(2)21(24)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.26, 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)-4-fluorobenzamide is sourced from PubChem (CID 24789878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).