N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide

C16H13Cl2N3O2 — CID 139915186

IUPACN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c1-21(15(23)8-22)14-5-3-2-4-9(14)16-19-12-6-10(17)11(18)7-13(12)20-16/h2-7,22H,8H2,1H3,(H,19,20)
InChIKeyBRYVUXPNBUAXTI-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.49
Rot. Bonds3

About N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide (PubChem CID 139915186) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide
PubChem CID139915186
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c1-21(15(23)8-22)14-5-3-2-4-9(14)16-19-12-6-10(17)11(18)7-13(12)20-16/h2-7,22H,8H2,1H3,(H,19,20)
InChIKeyBRYVUXPNBUAXTI-UHFFFAOYSA-N
XLogP3.49
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N-methylpyridine-3-carboxamide
CID 139915251
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
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
CID 139915310
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
CID 114103153
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide (CID 139915186) is N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide is CN(C(=O)CO)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide?
The InChIKey is BRYVUXPNBUAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-21(15(23)8-22)14-5-3-2-4-9(14)16-19-12-6-10(17)11(18)7-13(12)20-16/h2-7,22H,8H2,1H3,(H,19,20).
What are the key properties of N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide?
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-hydroxy-N-methylacetamide has a molecular weight of 350.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 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]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 139915186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).