2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

C27H43N5 — CID 24800107

IUPAC2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1
InChIInChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
InChIKeyIHDRRZZOAOZYJS-UHFFFAOYSA-N
MW437.68 g/mol
LogP5.36
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (PubChem CID 24800107) has the molecular formula C27H43N5 and a molecular weight of 437.68 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
PubChem CID24800107
Molecular FormulaC27H43N5
Molecular Weight437.68 g/mol
Exact Mass437.35
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1
InChIInChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
InChIKeyIHDRRZZOAOZYJS-UHFFFAOYSA-N
XLogP5.36
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-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

Related Compounds

3-[1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazol-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 10295758
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10163826
2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10278518
[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
CID 53316968
1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
CID 15485902
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61291804
[(3R)-1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 93015112
[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 46106644
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622
1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
CID 166359652

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (CID 24800107) is 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The InChIKey is IHDRRZZOAOZYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole has a molecular weight of 437.68 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 24800107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).