N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

C23H19Cl2N3O2 — CID 54859094

IUPACN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)ccc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-13-9-17(7-8-18(13)24)30-12-22(29)26-16-5-3-15(4-6-16)23-27-20-10-14(2)19(25)11-21(20)28-23/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyADGKBTRIUKHPQK-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.17
Rot. Bonds5

About N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 54859094) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID54859094
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC NameN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)ccc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-13-9-17(7-8-18(13)24)30-12-22(29)26-16-5-3-15(4-6-16)23-27-20-10-14(2)19(25)11-21(20)28-23/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyADGKBTRIUKHPQK-UHFFFAOYSA-N
XLogP6.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 54858782
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-[[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
CID 54860499
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54857993

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (CID 54859094) is N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)ccc1Cl.
What is the InChIKey of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is ADGKBTRIUKHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-13-9-17(7-8-18(13)24)30-12-22(29)26-16-5-3-15(4-6-16)23-27-20-10-14(2)19(25)11-21(20)28-23/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 440.33 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 54859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).