2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C20H23N3O2 — CID 78881216

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-18-19(9-15(14)2)23(13-21-18)12-20(24)22(3)11-16-6-5-7-17(10-16)25-4/h5-10,13H,11-12H2,1-4H3
InChIKeyQFRJTENHTIPOFI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.32
Rot. Bonds5

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 78881216) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID78881216
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-18-19(9-15(14)2)23(13-21-18)12-20(24)22(3)11-16-6-5-7-17(10-16)25-4/h5-10,13H,11-12H2,1-4H3
InChIKeyQFRJTENHTIPOFI-UHFFFAOYSA-N
XLogP3.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 78881216) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)Cn2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QFRJTENHTIPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-18-19(9-15(14)2)23(13-21-18)12-20(24)22(3)11-16-6-5-7-17(10-16)25-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78881216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).