N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C23H36IN5O2 — CID 109448328

About N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448328) has the molecular formula C23H36IN5O2 and a molecular weight of 541.48 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109448328
• Molecular Formula: C23H36IN5O2
• Molecular Weight: 541.48 g/mol
• Exact Mass: 541.19
• IUPAC Name: N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(/NCCn1c(C)nc2ccccc21)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C23H35N5O2.HI/c1-18-26-21-8-3-4-9-22(21)28(18)15-12-25-23(24-2)27-13-10-19(11-14-27)30-17-20-7-5-6-16-29-20;/h3-4,8-9,19-20H,5-7,10-17H2,1-2H3,(H,24,25);1H
• InChIKey: QRIBWMCSXFKWQK-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 63.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.48
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109448328) is N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is C/N=C(/NCCn1c(C)nc2ccccc21)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is QRIBWMCSXFKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2.HI/c1-18-26-21-8-3-4-9-22(21)28(18)15-12-25-23(24-2)27-13-10-19(11-14-27)30-17-20-7-5-6-16-29-20;/h3-4,8-9,19-20H,5-7,10-17H2,1-2H3,(H,24,25);1H.

What are the key properties of N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 541.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).