N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide

C20H12Cl3N3O — CID 25066983

IUPACN-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26)
InChIKeyGLUCVAZWFKCTHF-UHFFFAOYSA-N
MW416.70 g/mol
LogP6.44
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide

N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 25066983) has the molecular formula C20H12Cl3N3O and a molecular weight of 416.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID25066983
Molecular FormulaC20H12Cl3N3O
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC NameN-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26)
InChIKeyGLUCVAZWFKCTHF-UHFFFAOYSA-N
XLogP6.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide (CID 25066983) is N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is GLUCVAZWFKCTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 416.70 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25066983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).