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

C25H23ClN4O2 — CID 17029611

IUPAC4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-7-13-20(14-8-16)28-23(31)15-30-22-6-4-3-5-21(22)29-24(30)17(2)27-25(32)18-9-11-19(26)12-10-18/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWMZFXRIACVVWIO-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.13
Rot. Bonds6

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

4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029611) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17029611
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(NC(=O)Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-7-13-20(14-8-16)28-23(31)15-30-22-6-4-3-5-21(22)29-24(30)17(2)27-25(32)18-9-11-19(26)12-10-18/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWMZFXRIACVVWIO-UHFFFAOYSA-N
XLogP5.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 5109311
N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 17029694
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
4-chloro-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029626
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
N-[1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 5002112
N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41102600
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029838
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
4-methyl-N-[(1S)-1-[1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 98405693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029611) is 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(NC(=O)Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is WMZFXRIACVVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-7-13-20(14-8-16)28-23(31)15-30-22-6-4-3-5-21(22)29-24(30)17(2)27-25(32)18-9-11-19(26)12-10-18/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).