2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

C24H34IN7 — CID 111351559

About 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111351559) has the molecular formula C24H34IN7 and a molecular weight of 547.49 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
• PubChem CID: 111351559
• Molecular Formula: C24H34IN7
• Molecular Weight: 547.49 g/mol
• Exact Mass: 547.19
• IUPAC Name: 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
• SMILES: C/N=C(/NCCCn1c(C)nc2ccccc21)NCc1ccnc(N2CCCCC2)c1.I
• InChI: InChI=1S/C24H33N7.HI/c1-19-29-21-9-4-5-10-22(21)31(19)16-8-12-27-24(25-2)28-18-20-11-13-26-23(17-20)30-14-6-3-7-15-30;/h4-5,9-11,13,17H,3,6-8,12,14-16,18H2,1-2H3,(H2,25,27,28);1H
• InChIKey: NGONOOOAPMQHSE-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 70.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.49
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111351559) is 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?

The canonical SMILES for 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is C/N=C(/NCCCn1c(C)nc2ccccc21)NCc1ccnc(N2CCCCC2)c1.I.

What is the InChIKey of 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?

The InChIKey is NGONOOOAPMQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7.HI/c1-19-29-21-9-4-5-10-22(21)31(19)16-8-12-27-24(25-2)28-18-20-11-13-26-23(17-20)30-14-6-3-7-15-30;/h4-5,9-11,13,17H,3,6-8,12,14-16,18H2,1-2H3,(H2,25,27,28);1H.

What are the key properties of 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?

2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 547.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111351559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).