N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C23H19FN4O2 — CID 17029315

IUPACN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C23H19FN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,30)(H,26,29)
InChIKeyHKGBKGCZTXOGSE-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.74
Rot. Bonds6

About N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029315) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029315
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C23H19FN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,30)(H,26,29)
InChIKeyHKGBKGCZTXOGSE-UHFFFAOYSA-N
XLogP3.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029460
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide
CID 42892093
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 25334322
N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029564
N-[[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029473
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029315) is N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1cccc(F)c1.
What is the InChIKey of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HKGBKGCZTXOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,30)(H,26,29).
What are the key properties of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).