2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide

C17H16FN3O2 — CID 110396250

IUPAC2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
SMILESCn1c(=O)n(CCNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-20-14-8-4-5-9-15(14)21(17(20)23)11-10-19-16(22)12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyAYTYQKRGMYZHLR-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.91
Rot. Bonds4

About 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide

2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide (PubChem CID 110396250) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
PubChem CID110396250
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
SMILESCn1c(=O)n(CCNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-20-14-8-4-5-9-15(14)21(17(20)23)11-10-19-16(22)12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyAYTYQKRGMYZHLR-UHFFFAOYSA-N
XLogP1.91
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
CID 110396269
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
2-fluoro-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078450
1-[2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 78850315
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide (CID 110396250) is 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide is Cn1c(=O)n(CCNC(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is AYTYQKRGMYZHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-20-14-8-4-5-9-15(14)21(17(20)23)11-10-19-16(22)12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 313.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110396250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).