1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane

C80H126N12 — CID 144722219

About 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane

1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane (PubChem CID 144722219) has the molecular formula C80H126N12 and a molecular weight of 1255.97 g/mol. Its IUPAC name is 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane.

Molecular Properties

• Compound Name: 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane
• PubChem CID: 144722219
• Molecular Formula: C80H126N12
• Molecular Weight: 1255.97 g/mol
• Exact Mass: 1255.02
• IUPAC Name: 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane
• SMILES: CC.Cc1ccc2c(c1)nc(C1CCNCC1)n2C1CCN(CC2CCCCCCC2)CC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCC3)CC2)CCCC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCC3)CC2)CCCCC1
• InChI: InChI=1S/C27H42N4.C26H40N4.C25H38N4.C2H6/c1-21-9-10-26-25(19-21)29-27(23-11-15-28-16-12-23)31(26)24-13-17-30(18-14-24)20-22-7-5-3-2-4-6-8-22;27-26(16-8-3-9-17-26)25-28-23-12-6-7-13-24(23)30(25)22-14-18-29(19-15-22)20-21-10-4-1-2-5-11-21;26-25(15-7-8-16-25)24-27-22-11-5-6-12-23(22)29(24)21-13-17-28(18-14-21)19-20-9-3-1-2-4-10-20;1-2/h9-10,19,22-24,28H,2-8,11-18,20H2,1H3;6-7,12-13,21-22H,1-5,8-11,14-20,27H2;5-6,11-12,20-21H,1-4,7-10,13-19,26H2;1-2H3
• InChIKey: HRLULSKYPFHCPQ-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 127.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.97
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane?

The IUPAC name of 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane (CID 144722219) is 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane.

What is the SMILES notation for 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane?

The canonical SMILES for 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane is CC.Cc1ccc2c(c1)nc(C1CCNCC1)n2C1CCN(CC2CCCCCCC2)CC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCC3)CC2)CCCC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCC3)CC2)CCCCC1.

What is the InChIKey of 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane?

The InChIKey is HRLULSKYPFHCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4.C26H40N4.C25H38N4.C2H6/c1-21-9-10-26-25(19-21)29-27(23-11-15-28-16-12-23)31(26)24-13-17-30(18-14-24)20-22-7-5-3-2-4-6-8-22;27-26(16-8-3-9-17-26)25-28-23-12-6-7-13-24(23)30(25)22-14-18-29(19-15-22)20-21-10-4-1-2-5-11-21;26-25(15-7-8-16-25)24-27-22-11-5-6-12-23(22)29(24)21-13-17-28(18-14-21)19-20-9-3-1-2-4-10-20;1-2/h9-10,19,22-24,28H,2-8,11-18,20H2,1H3;6-7,12-13,21-22H,1-5,8-11,14-20,27H2;5-6,11-12,20-21H,1-4,7-10,13-19,26H2;1-2H3.

What are the key properties of 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane?

1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane has a molecular weight of 1255.97 g/mol, XLogP of 17.97, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane is sourced from PubChem (CID 144722219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).