N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide

C18H19N3O4 — CID 59771103

IUPACN-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2ccc(-c3ccc(OC)cc3OC)cc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-23-10-17(22)21-18-19-14-7-4-11(8-15(14)20-18)13-6-5-12(24-2)9-16(13)25-3/h4-9H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyOACUFVVJLDXCHP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.83
Rot. Bonds6

About N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide

N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide (PubChem CID 59771103) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide
PubChem CID59771103
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2ccc(-c3ccc(OC)cc3OC)cc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-23-10-17(22)21-18-19-14-7-4-11(8-15(14)20-18)13-6-5-12(24-2)9-16(13)25-3/h4-9H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyOACUFVVJLDXCHP-UHFFFAOYSA-N
XLogP2.83
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 167780321
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655403
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717501
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide (CID 59771103) is N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide is COCC(=O)Nc1nc2ccc(-c3ccc(OC)cc3OC)cc2[nH]1.
What is the InChIKey of N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide?
The InChIKey is OACUFVVJLDXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-10-17(22)21-18-19-14-7-4-11(8-15(14)20-18)13-6-5-12(24-2)9-16(13)25-3/h4-9H,10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide?
N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide has a molecular weight of 341.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 59771103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).