2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole

C17H25N3O2 — CID 82149776

IUPAC2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCCc1nc2cc(OC)c(OC)cc2n1CC1CCCNC1
InChIInChI=1S/C17H25N3O2/c1-4-17-19-13-8-15(21-2)16(22-3)9-14(13)20(17)11-12-6-5-7-18-10-12/h8-9,12,18H,4-7,10-11H2,1-3H3
InChIKeyAHSBIZXDMDXUBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.62
Rot. Bonds5

About 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole

2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 82149776) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
PubChem CID82149776
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCCc1nc2cc(OC)c(OC)cc2n1CC1CCCNC1
InChIInChI=1S/C17H25N3O2/c1-4-17-19-13-8-15(21-2)16(22-3)9-14(13)20(17)11-12-6-5-7-18-10-12/h8-9,12,18H,4-7,10-11H2,1-3H3
InChIKeyAHSBIZXDMDXUBJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole 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

2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 83003239

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole (CID 82149776) is 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole is CCc1nc2cc(OC)c(OC)cc2n1CC1CCCNC1.
What is the InChIKey of 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is AHSBIZXDMDXUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-17-19-13-8-15(21-2)16(22-3)9-14(13)20(17)11-12-6-5-7-18-10-12/h8-9,12,18H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole?
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 303.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 82149776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).