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

C22H30N6 — CID 109402673

IUPAC1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1ccncc1C
InChIInChI=1S/C22H30N6/c1-4-24-22(26-14-11-19-10-13-23-16-17(19)2)25-12-7-15-28-18(3)27-20-8-5-6-9-21(20)28/h5-6,8-10,13,16H,4,7,11-12,14-15H2,1-3H3,(H2,24,25,26)
InChIKeyWGPWSQVATVMSMU-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.24
Rot. Bonds8

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

1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (PubChem CID 109402673) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
PubChem CID109402673
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1ccncc1C
InChIInChI=1S/C22H30N6/c1-4-24-22(26-14-11-19-10-13-23-16-17(19)2)25-12-7-15-28-18(3)27-20-8-5-6-9-21(20)28/h5-6,8-10,13,16H,4,7,11-12,14-15H2,1-3H3,(H2,24,25,26)
InChIKeyWGPWSQVATVMSMU-UHFFFAOYSA-N
XLogP3.24
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-3-(2-hydroxyethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352894
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111766545
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111352723
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838749
2-butyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111150183
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343596
1-[7-(dimethylamino)heptyl]-3-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111351731
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111626502
1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352984
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111353096
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352270
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111353196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (CID 109402673) is 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is CCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1ccncc1C.
What is the InChIKey of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The InChIKey is WGPWSQVATVMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-4-24-22(26-14-11-19-10-13-23-16-17(19)2)25-12-7-15-28-18(3)27-20-8-5-6-9-21(20)28/h5-6,8-10,13,16H,4,7,11-12,14-15H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine has a molecular weight of 378.52 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 109402673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).