N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide

C20H14Cl2N4O — CID 139915251

IUPACN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C20H14Cl2N4O/c1-26(20(27)12-5-4-8-23-11-12)18-7-3-2-6-13(18)19-24-16-9-14(21)15(22)10-17(16)25-19/h2-11H,1H3,(H,24,25)
InChIKeyCECHVCXLCZFELJ-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.21
Rot. Bonds3

About N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 139915251) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide
PubChem CID139915251
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C20H14Cl2N4O/c1-26(20(27)12-5-4-8-23-11-12)18-7-3-2-6-13(18)19-24-16-9-14(21)15(22)10-17(16)25-19/h2-11H,1H3,(H,24,25)
InChIKeyCECHVCXLCZFELJ-UHFFFAOYSA-N
XLogP5.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide
CID 139915186
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
CID 18621430
N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
CID 139915310
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 143659642
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide (CID 139915251) is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is CECHVCXLCZFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c1-26(20(27)12-5-4-8-23-11-12)18-7-3-2-6-13(18)19-24-16-9-14(21)15(22)10-17(16)25-19/h2-11H,1H3,(H,24,25).
What are the key properties of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide?
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 139915251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).