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

C16H13Cl2N3O — CID 139915310

IUPACN-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H13Cl2N3O/c1-9(22)21(2)15-6-4-10(17)7-12(15)16-19-13-5-3-11(18)8-14(13)20-16/h3-8H,1-2H3,(H,19,20)
InChIKeyCATYGRNDCZADSD-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.52
Rot. Bonds2

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

N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide (PubChem CID 139915310) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
PubChem CID139915310
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H13Cl2N3O/c1-9(22)21(2)15-6-4-10(17)7-12(15)16-19-13-5-3-11(18)8-14(13)20-16/h3-8H,1-2H3,(H,19,20)
InChIKeyCATYGRNDCZADSD-UHFFFAOYSA-N
XLogP4.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide
CID 139915186
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide
CID 139915251

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide (CID 139915310) is N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide?
The InChIKey is CATYGRNDCZADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-9(22)21(2)15-6-4-10(17)7-12(15)16-19-13-5-3-11(18)8-14(13)20-16/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide?
N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide has a molecular weight of 334.21 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 139915310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).