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

C21H15Cl2N3O2 — CID 17296439

IUPACN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H15Cl2N3O2/c22-14-7-10-17-18(11-14)26-21(25-17)13-5-8-15(9-6-13)24-20(27)12-28-19-4-2-1-3-16(19)23/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyHIKLNNIKAIUGOM-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.55
Rot. Bonds5

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

N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 17296439) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID17296439
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H15Cl2N3O2/c22-14-7-10-17-18(11-14)26-21(25-17)13-5-8-15(9-6-13)24-20(27)12-28-19-4-2-1-3-16(19)23/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyHIKLNNIKAIUGOM-UHFFFAOYSA-N
XLogP5.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
CID 103596999

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 17296439) is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is HIKLNNIKAIUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c22-14-7-10-17-18(11-14)26-21(25-17)13-5-8-15(9-6-13)24-20(27)12-28-19-4-2-1-3-16(19)23/h1-11H,12H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 412.28 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 17296439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).