2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine

C24H32N4O2 — CID 44622850

IUPAC2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1
InChIInChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
InChIKeyPFOQIHIIOLBCEQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 44622850) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID44622850
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1
InChIInChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
InChIKeyPFOQIHIIOLBCEQ-UHFFFAOYSA-N
XLogP3.95
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 44622850) is 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is PFOQIHIIOLBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27).
What are the key properties of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 408.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 44622850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).