2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole

C25H33N5 — CID 145424265

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2C2CCN(C)CC2)N1C
InChIInChI=1S/C25H33N5/c1-18-8-7-15-26-24(18)22-11-6-12-23(29(22)3)25-27-20-9-4-5-10-21(20)30(25)19-13-16-28(2)17-14-19/h4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3/t22-,23+/m0/s1
InChIKeyWPLFMINKKNKGKW-XZOQPEGZSA-N
MW403.57 g/mol
LogP4.90
Rot. Bonds3

About 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole (PubChem CID 145424265) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
PubChem CID145424265
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2C2CCN(C)CC2)N1C
InChIInChI=1S/C25H33N5/c1-18-8-7-15-26-24(18)22-11-6-12-23(29(22)3)25-27-20-9-4-5-10-21(20)30(25)19-13-16-28(2)17-14-19/h4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3/t22-,23+/m0/s1
InChIKeyWPLFMINKKNKGKW-XZOQPEGZSA-N
XLogP4.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole 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-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole (CID 145424265) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2C2CCN(C)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole?
The InChIKey is WPLFMINKKNKGKW-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H33N5/c1-18-8-7-15-26-24(18)22-11-6-12-23(29(22)3)25-27-20-9-4-5-10-21(20)30(25)19-13-16-28(2)17-14-19/h4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3/t22-,23+/m0/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole has a molecular weight of 403.57 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole is sourced from PubChem (CID 145424265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).