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

C24H34Cl2N4O2 — CID 164887588

IUPAC2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1.Cl.Cl
InChIInChI=1S/C24H32N4O2.2ClH/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);2*1H
InChIKeyJBLITFDQZWSTBB-UHFFFAOYSA-N
MW481.47 g/mol
LogP4.80
Rot. Bonds7

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

2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride (PubChem CID 164887588) has the molecular formula C24H34Cl2N4O2 and a molecular weight of 481.47 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride
PubChem CID164887588
Molecular FormulaC24H34Cl2N4O2
Molecular Weight481.47 g/mol
Exact Mass480.21
IUPAC Name2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1.Cl.Cl
InChIInChI=1S/C24H32N4O2.2ClH/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);2*1H
InChIKeyJBLITFDQZWSTBB-UHFFFAOYSA-N
XLogP4.80
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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;dihydrochloride?
The IUPAC name of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride (CID 164887588) is 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride?
The canonical SMILES for 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride is CNCCN1CCC(c2cc(C)c3nc(-c4c(OC)cccc4OC)[nH]c3c2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride?
The InChIKey is JBLITFDQZWSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.2ClH/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);2*1H.
What are the key properties of 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride?
2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine;dihydrochloride has a molecular weight of 481.47 g/mol, XLogP of 4.80, 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;dihydrochloride is sourced from PubChem (CID 164887588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).