N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

C25H23ClN4O2 — CID 17029694

IUPACN-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-10-12-18(13-11-16)25(32)27-17(2)24-29-21-8-3-4-9-22(21)30(24)15-23(31)28-20-7-5-6-19(26)14-20/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyFCGLWOOJHWAXHC-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.13
Rot. Bonds6

About N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 17029694) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID17029694
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-10-12-18(13-11-16)25(32)27-17(2)24-29-21-8-3-4-9-22(21)30(24)15-23(31)28-20-7-5-6-19(26)14-20/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyFCGLWOOJHWAXHC-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
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029838
4-methyl-N-[(1S)-1-[1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 98405693
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029844

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 17029694) is N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is FCGLWOOJHWAXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-10-12-18(13-11-16)25(32)27-17(2)24-29-21-8-3-4-9-22(21)30(24)15-23(31)28-20-7-5-6-19(26)14-20/h3-14,17H,15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide 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 N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 17029694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).