1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine

C24H33N5O — CID 29029508

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(Cc2ccncc2)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C24H33N5O/c1-27-23-6-4-3-5-22(23)26-24(27)19-29(17-20-7-11-25-12-8-20)18-21-9-13-28(14-10-21)15-16-30-2/h3-8,11-12,21H,9-10,13-19H2,1-2H3
InChIKeyHGWYZTOFIOEFHD-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.33
Rot. Bonds9

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine

1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 29029508) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID29029508
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(Cc2ccncc2)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C24H33N5O/c1-27-23-6-4-3-5-22(23)26-24(27)19-29(17-20-7-11-25-12-8-20)18-21-9-13-28(14-10-21)15-16-30-2/h3-8,11-12,21H,9-10,13-19H2,1-2H3
InChIKeyHGWYZTOFIOEFHD-UHFFFAOYSA-N
XLogP3.33
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine 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 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine (CID 29029508) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine is COCCN1CCC(CN(Cc2ccncc2)Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is HGWYZTOFIOEFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-27-23-6-4-3-5-22(23)26-24(27)19-29(17-20-7-11-25-12-8-20)18-21-9-13-28(14-10-21)15-16-30-2/h3-8,11-12,21H,9-10,13-19H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 407.56 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 29029508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).