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

C24H21ClN4O2 — CID 17007545

IUPAC2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCN(C(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H21ClN4O2/c1-28(17-9-3-2-4-10-17)23(30)16-29-21-14-8-7-13-20(21)27-22(29)15-26-24(31)18-11-5-6-12-19(18)25/h2-14H,15-16H2,1H3,(H,26,31)
InChIKeyQZIMSXYHQVJFOM-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.28
Rot. Bonds6

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

2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007545) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007545
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCN(C(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H21ClN4O2/c1-28(17-9-3-2-4-10-17)23(30)16-29-21-14-8-7-13-20(21)27-22(29)15-26-24(31)18-11-5-6-12-19(18)25/h2-14H,15-16H2,1H3,(H,26,31)
InChIKeyQZIMSXYHQVJFOM-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007857
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17007545) is 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is CN(C(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is QZIMSXYHQVJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-28(17-9-3-2-4-10-17)23(30)16-29-21-14-8-7-13-20(21)27-22(29)15-26-24(31)18-11-5-6-12-19(18)25/h2-14H,15-16H2,1H3,(H,26,31).
What are the key properties of 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).