1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

C20H29N7 — CID 111766545

About 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (PubChem CID 111766545) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
• PubChem CID: 111766545
• Molecular Formula: C20H29N7
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.25
• IUPAC Name: 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
• SMILES: CCN/C(=N\CCCn1c(C)nc2ccccc21)NCCn1cc(C)cn1
• InChI: InChI=1S/C20H29N7/c1-4-21-20(23-11-13-26-15-16(2)14-24-26)22-10-7-12-27-17(3)25-18-8-5-6-9-19(18)27/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3,(H2,21,22,23)
• InChIKey: MMZIHHHELQPLPQ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 72.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	2.50
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'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?

The IUPAC name of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (CID 111766545) is 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.

What is the SMILES notation for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?

The canonical SMILES for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is CCN/C(=N\CCCn1c(C)nc2ccccc21)NCCn1cc(C)cn1.

What is the InChIKey of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?

The InChIKey is MMZIHHHELQPLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-4-21-20(23-11-13-26-15-16(2)14-24-26)22-10-7-12-27-17(3)25-18-8-5-6-9-19(18)27/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3,(H2,21,22,23).

What are the key properties of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?

1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine has a molecular weight of 367.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 111766545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).