N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide

C21H15Cl2N3O — CID 17033137

IUPACN-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2N3O/c22-15-7-5-14(6-8-15)21-25-18-3-1-2-4-19(18)26(21)13-20(27)24-17-11-9-16(23)10-12-17/h1-12H,13H2,(H,24,27)
InChIKeyJPINOXRKDZGUGH-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.65
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 17033137) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide
PubChem CID17033137
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2N3O/c22-15-7-5-14(6-8-15)21-25-18-3-1-2-4-19(18)26(21)13-20(27)24-17-11-9-16(23)10-12-17/h1-12H,13H2,(H,24,27)
InChIKeyJPINOXRKDZGUGH-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide (CID 17033137) is N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is JPINOXRKDZGUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c22-15-7-5-14(6-8-15)21-25-18-3-1-2-4-19(18)26(21)13-20(27)24-17-11-9-16(23)10-12-17/h1-12H,13H2,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 396.28 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).