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

C27H36N4 — CID 154620192

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

1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole (PubChem CID 154620192) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
• PubChem CID: 154620192
• Molecular Formula: C27H36N4
• Molecular Weight: 416.61 g/mol
• Exact Mass: 416.29
• IUPAC Name: 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
• SMILES: CCN1[C@@H](c2nc3ccccc3n2CC2CCCCC2)CCC[C@H]1c1ncccc1C
• InChI: InChI=1S/C27H36N4/c1-3-30-24(26-20(2)11-10-18-28-26)16-9-17-25(30)27-29-22-14-7-8-15-23(22)31(27)19-21-12-5-4-6-13-21/h7-8,10-11,14-15,18,21,24-25H,3-6,9,12-13,16-17,19H2,1-2H3/t24-,25+/m0/s1
• InChIKey: XBEQRNGFCPOLNC-LOSJGSFVSA-N
• XLogP: 6.61
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.61
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?

The IUPAC name of 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole (CID 154620192) is 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole.

What is the SMILES notation for 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?

The canonical SMILES for 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole is CCN1[C@@H](c2nc3ccccc3n2CC2CCCCC2)CCC[C@H]1c1ncccc1C.

What is the InChIKey of 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?

The InChIKey is XBEQRNGFCPOLNC-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H36N4/c1-3-30-24(26-20(2)11-10-18-28-26)16-9-17-25(30)27-29-22-14-7-8-15-23(22)31(27)19-21-12-5-4-6-13-21/h7-8,10-11,14-15,18,21,24-25H,3-6,9,12-13,16-17,19H2,1-2H3/t24-,25+/m0/s1.

What are the key properties of 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?

1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole has a molecular weight of 416.61 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole is sourced from PubChem (CID 154620192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).