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

C22H17Cl2N3O2 — CID 54858671

IUPACN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCc1cc2[nH]c(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-13-9-19-20(11-18(13)24)27-22(26-19)14-3-2-4-16(10-14)25-21(28)12-29-17-7-5-15(23)6-8-17/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyBQPUALCAMNMIEN-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.86
Rot. Bonds5

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

N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 54858671) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID54858671
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC NameN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESCc1cc2[nH]c(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-13-9-19-20(11-18(13)24)27-22(26-19)14-3-2-4-16(10-14)25-21(28)12-29-17-7-5-15(23)6-8-17/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyBQPUALCAMNMIEN-UHFFFAOYSA-N
XLogP5.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.86
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]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
CID 54860499
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 54858782
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
CID 54857921
3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
CID 54858335
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136876910
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide (CID 54858671) is N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide is Cc1cc2[nH]c(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2cc1Cl.
What is the InChIKey of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is BQPUALCAMNMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-13-9-19-20(11-18(13)24)27-22(26-19)14-3-2-4-16(10-14)25-21(28)12-29-17-7-5-15(23)6-8-17/h2-11H,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide?
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 426.30 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 54858671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).