N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide

C24H22N4O2 — CID 17029353

IUPACN-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17-9-5-6-12-19(17)24(30)25-15-22-27-20-13-7-8-14-21(20)28(22)16-23(29)26-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyOZTIXTIZSBVYGN-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.91
Rot. Bonds6

About N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide

N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide (PubChem CID 17029353) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
PubChem CID17029353
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17-9-5-6-12-19(17)24(30)25-15-22-27-20-13-7-8-14-21(20)28(22)16-23(29)26-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyOZTIXTIZSBVYGN-UHFFFAOYSA-N
XLogP3.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide (CID 17029353) is N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The InChIKey is OZTIXTIZSBVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-9-5-6-12-19(17)24(30)25-15-22-27-20-13-7-8-14-21(20)28(22)16-23(29)26-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 17029353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).