2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C25H23ClN4O2 — CID 17029427

IUPAC2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)cc1C
InChIInChI=1S/C25H23ClN4O2/c1-16-11-12-18(13-17(16)2)28-24(31)15-30-22-10-6-5-9-21(22)29-23(30)14-27-25(32)19-7-3-4-8-20(19)26/h3-13H,14-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHCKOJQKAOXQCPO-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.88
Rot. Bonds6

About 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029427) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029427
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)cc1C
InChIInChI=1S/C25H23ClN4O2/c1-16-11-12-18(13-17(16)2)28-24(31)15-30-22-10-6-5-9-21(22)29-23(30)14-27-25(32)19-7-3-4-8-20(19)26/h3-13H,14-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHCKOJQKAOXQCPO-UHFFFAOYSA-N
XLogP4.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029427) is 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)cc1C.
What is the InChIKey of 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HCKOJQKAOXQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-11-12-18(13-17(16)2)28-24(31)15-30-22-10-6-5-9-21(22)29-23(30)14-27-25(32)19-7-3-4-8-20(19)26/h3-13H,14-15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).