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

C24H22ClN3O2 — CID 54858782

IUPACN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-3-16-4-10-19(11-5-16)30-14-23(29)26-18-8-6-17(7-9-18)24-27-21-12-15(2)20(25)13-22(21)28-24/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIPFYRCMRPXHOPE-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.77
Rot. Bonds6

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

N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 54858782) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
PubChem CID54858782
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-3-16-4-10-19(11-5-16)30-14-23(29)26-18-8-6-17(7-9-18)24-27-21-12-15(2)20(25)13-22(21)28-24/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIPFYRCMRPXHOPE-UHFFFAOYSA-N
XLogP5.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.77
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-chloro-3-methylphenoxy)acetamide
CID 54859094
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-(4-ethylphenyl)acetamide
CID 841196
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54857993
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
CID 54860499
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide (CID 54858782) is N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is IPFYRCMRPXHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-3-16-4-10-19(11-5-16)30-14-23(29)26-18-8-6-17(7-9-18)24-27-21-12-15(2)20(25)13-22(21)28-24/h4-13H,3,14H2,1-2H3,(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-ethylphenoxy)acetamide?
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 419.91 g/mol, XLogP of 5.77, 6 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-ethylphenoxy)acetamide is sourced from PubChem (CID 54858782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).