N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide

C23H17Cl2N3O2 — CID 58156298

IUPACN-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cl)c1-c1nc2ccc(C(=O)Cc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C23H17Cl2N3O2/c1-13(29)26-19-7-3-6-17(25)22(19)23-27-18-9-8-15(12-20(18)28-23)21(30)11-14-4-2-5-16(24)10-14/h2-10,12H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyJFWXZKDYYZHJDF-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.92
Rot. Bonds5

About N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide

N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 58156298) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide
PubChem CID58156298
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cl)c1-c1nc2ccc(C(=O)Cc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C23H17Cl2N3O2/c1-13(29)26-19-7-3-6-17(25)22(19)23-27-18-9-8-15(12-20(18)28-23)21(30)11-14-4-2-5-16(24)10-14/h2-10,12H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyJFWXZKDYYZHJDF-UHFFFAOYSA-N
XLogP5.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide (CID 58156298) is N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(Cl)c1-c1nc2ccc(C(=O)Cc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is JFWXZKDYYZHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-13(29)26-19-7-3-6-17(25)22(19)23-27-18-9-8-15(12-20(18)28-23)21(30)11-14-4-2-5-16(24)10-14/h2-10,12H,11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide?
N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 438.31 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[6-[2-(3-chlorophenyl)acetyl]-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 58156298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).