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

C23H19Cl2N3O2 — CID 54858335

IUPAC3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)cc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-3-30-21-8-7-15(11-18(21)25)23(29)26-16-6-4-5-14(10-16)22-27-19-9-13(2)17(24)12-20(19)28-22/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyCJRNUJIUDOKTIM-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.50
Rot. Bonds5

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

3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide (PubChem CID 54858335) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
PubChem CID54858335
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)cc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-3-30-21-8-7-15(11-18(21)25)23(29)26-16-6-4-5-14(10-16)22-27-19-9-13(2)17(24)12-20(19)28-22/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyCJRNUJIUDOKTIM-UHFFFAOYSA-N
XLogP6.50
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 ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
CID 54857921
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54857993
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428
N-[[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
CID 54860499
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 54858257
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
CID 22777518
3-chloro-4-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4260752
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide (CID 54858335) is 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide?
The InChIKey is CJRNUJIUDOKTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-3-30-21-8-7-15(11-18(21)25)23(29)26-16-6-4-5-14(10-16)22-27-19-9-13(2)17(24)12-20(19)28-22/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide?
3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide has a molecular weight of 440.33 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 54858335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).