2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C25H24N4O2 — CID 17029366

IUPAC2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-17-11-13-19(14-12-17)27-24(30)16-29-22-10-6-5-9-21(22)28-23(29)15-26-25(31)20-8-4-3-7-18(20)2/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySXJAPHIUBKYOSV-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.22
Rot. Bonds6

About 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029366) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029366
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-17-11-13-19(14-12-17)27-24(30)16-29-22-10-6-5-9-21(22)28-23(29)15-26-25(31)20-8-4-3-7-18(20)2/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySXJAPHIUBKYOSV-UHFFFAOYSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029387
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
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-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029366) is 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is SXJAPHIUBKYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-11-13-19(14-12-17)27-24(30)16-29-22-10-6-5-9-21(22)28-23(29)15-26-25(31)20-8-4-3-7-18(20)2/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).