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

C20H21FN4O2 — CID 40642475

IUPACN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C20H21FN4O2/c1-23-17-11-15(22-19(26)13-7-3-4-8-14(13)21)16(25-9-5-6-10-25)12-18(17)24(2)20(23)27/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,26)
InChIKeyNWLSWIHDSDNELF-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.87
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide (PubChem CID 40642475) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
PubChem CID40642475
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C20H21FN4O2/c1-23-17-11-15(22-19(26)13-7-3-4-8-14(13)21)16(25-9-5-6-10-25)12-18(17)24(2)20(23)27/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,26)
InChIKeyNWLSWIHDSDNELF-UHFFFAOYSA-N
XLogP2.87
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
CID 3953635
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
1-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-(3-methylsulfanylphenyl)urea
CID 50792008
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide (CID 40642475) is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide is Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide?
The InChIKey is NWLSWIHDSDNELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-23-17-11-15(22-19(26)13-7-3-4-8-14(13)21)16(25-9-5-6-10-25)12-18(17)24(2)20(23)27/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide has a molecular weight of 368.41 g/mol, XLogP of 2.87, 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-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 40642475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).