5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole

C17H25N3O2 — CID 82149965

IUPAC5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole
SMILESCOc1cc2nc(C)n(CCC3CCCCN3)c2cc1OC
InChIInChI=1S/C17H25N3O2/c1-12-19-14-10-16(21-2)17(22-3)11-15(14)20(12)9-7-13-6-4-5-8-18-13/h10-11,13,18H,4-9H2,1-3H3
InChIKeyCHCBCEFIIACLHU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds5

About 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole

5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole (PubChem CID 82149965) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole
PubChem CID82149965
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole
SMILESCOc1cc2nc(C)n(CCC3CCCCN3)c2cc1OC
InChIInChI=1S/C17H25N3O2/c1-12-19-14-10-16(21-2)17(22-3)11-15(14)20(12)9-7-13-6-4-5-8-18-13/h10-11,13,18H,4-9H2,1-3H3
InChIKeyCHCBCEFIIACLHU-UHFFFAOYSA-N
XLogP2.89
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
3-(5,6-dimethoxy-2-methylbenzimidazol-1-yl)propanenitrile
CID 82145410
2-ethyl-6-methyl-3-(2-piperidin-2-ylethyl)imidazo[4,5-b]pyridine
CID 82151377
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole
CID 83003902
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79816638
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole (CID 82149965) is 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole is COc1cc2nc(C)n(CCC3CCCCN3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole?
The InChIKey is CHCBCEFIIACLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-19-14-10-16(21-2)17(22-3)11-15(14)20(12)9-7-13-6-4-5-8-18-13/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole?
5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole has a molecular weight of 303.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole is sourced from PubChem (CID 82149965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).