2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C18H19N3O2 — CID 47006781

IUPAC2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20(11-14-7-3-6-10-17(14)23-2)18(22)12-21-13-19-15-8-4-5-9-16(15)21/h3-10,13H,11-12H2,1-2H3
InChIKeyLJSYWKLMPFIHMD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 47006781) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID47006781
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20(11-14-7-3-6-10-17(14)23-2)18(22)12-21-13-19-15-8-4-5-9-16(15)21/h3-10,13H,11-12H2,1-2H3
InChIKeyLJSYWKLMPFIHMD-UHFFFAOYSA-N
XLogP2.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 47006781) is 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LJSYWKLMPFIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(11-14-7-3-6-10-17(14)23-2)18(22)12-21-13-19-15-8-4-5-9-16(15)21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 309.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 47006781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).