4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole

C74H96N16 — CID 145424203

IUPAC4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
SMILESCc1cccnc1C1CCCC(c2nc3c(N4CCNC5(CC5)C4)cccc3[nH]2)N1C.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1C
InChIInChI=1S/C25H32N6.C25H33N5.C24H31N5/c1-17-6-5-13-26-22(17)19-8-4-10-21(30(19)2)24-28-18-7-3-9-20(23(18)29-24)31-15-14-27-25(16-31)11-12-25;1-18-8-7-15-26-24(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;1-17-7-6-14-25-23(17)20-9-5-10-21(26-20)24-27-19-8-3-4-11-22(19)29(24)18-12-15-28(2)16-13-18/h3,5-7,9,13,19,21,27H,4,8,10-12,14-16H2,1-2H3,(H,28,29);4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3;3-4,6-8,11,14,18,20-21,26H,5,9-10,12-13,15-16H2,1-2H3
InChIKeyIVJRFJVCEDBEMC-UHFFFAOYSA-N
MW1209.69 g/mol
LogP13.57
Rot. Bonds9

About 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole

4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole (PubChem CID 145424203) has the molecular formula C74H96N16 and a molecular weight of 1209.69 g/mol. Its IUPAC name is 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole.

Molecular Properties

Compound Name4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
PubChem CID145424203
Molecular FormulaC74H96N16
Molecular Weight1209.69 g/mol
Exact Mass1208.80
IUPAC Name4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
SMILESCc1cccnc1C1CCCC(c2nc3c(N4CCNC5(CC5)C4)cccc3[nH]2)N1C.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1C
InChIInChI=1S/C25H32N6.C25H33N5.C24H31N5/c1-17-6-5-13-26-22(17)19-8-4-10-21(30(19)2)24-28-18-7-3-9-20(23(18)29-24)31-15-14-27-25(16-31)11-12-25;1-18-8-7-15-26-24(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;1-17-7-6-14-25-23(17)20-9-5-10-21(26-20)24-27-19-8-3-4-11-22(19)29(24)18-12-15-28(2)16-13-18/h3,5-7,9,13,19,21,27H,4,8,10-12,14-16H2,1-2H3,(H,28,29);4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3;3-4,6-8,11,14,18,20-21,26H,5,9-10,12-13,15-16H2,1-2H3
InChIKeyIVJRFJVCEDBEMC-UHFFFAOYSA-N
XLogP13.57
TPSA143.25 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.69
LogP ≤ 513.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?
The IUPAC name of 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole (CID 145424203) is 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole.
What is the SMILES notation for 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?
The canonical SMILES for 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole is Cc1cccnc1C1CCCC(c2nc3c(N4CCNC5(CC5)C4)cccc3[nH]2)N1C.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1.Cc1cccnc1C1CCCC(c2nc3ccccc3n2C2CCN(C)CC2)N1C.
What is the InChIKey of 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?
The InChIKey is IVJRFJVCEDBEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6.C25H33N5.C24H31N5/c1-17-6-5-13-26-22(17)19-8-4-10-21(30(19)2)24-28-18-7-3-9-20(23(18)29-24)31-15-14-27-25(16-31)11-12-25;1-18-8-7-15-26-24(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;1-17-7-6-14-25-23(17)20-9-5-10-21(26-20)24-27-19-8-3-4-11-22(19)29(24)18-12-15-28(2)16-13-18/h3,5-7,9,13,19,21,27H,4,8,10-12,14-16H2,1-2H3,(H,28,29);4-5,7-10,15,19,22-23H,6,11-14,16-17H2,1-3H3;3-4,6-8,11,14,18,20-21,26H,5,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole?
4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole has a molecular weight of 1209.69 g/mol, XLogP of 13.57, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole is sourced from PubChem (CID 145424203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).