1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine

C23H29N7 — CID 111352270

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H29N7/c1-3-24-23(26-14-12-19-17-29-15-7-6-11-22(29)28-19)25-13-8-16-30-18(2)27-20-9-4-5-10-21(20)30/h4-7,9-11,15,17H,3,8,12-14,16H2,1-2H3,(H2,24,25,26)
InChIKeyVLXXIFOWKRAAOB-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.18
Rot. Bonds8

About 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine (PubChem CID 111352270) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
PubChem CID111352270
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H29N7/c1-3-24-23(26-14-12-19-17-29-15-7-6-11-22(29)28-19)25-13-8-16-30-18(2)27-20-9-4-5-10-21(20)30/h4-7,9-11,15,17H,3,8,12-14,16H2,1-2H3,(H2,24,25,26)
InChIKeyVLXXIFOWKRAAOB-UHFFFAOYSA-N
XLogP3.18
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352118
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
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-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111766578
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
2-butyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111150183
1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352984
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111766545
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343596
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111626502
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402673
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine (CID 111352270) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine is CCN/C(=N\CCCn1c(C)nc2ccccc21)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?
The InChIKey is VLXXIFOWKRAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-3-24-23(26-14-12-19-17-29-15-7-6-11-22(29)28-19)25-13-8-16-30-18(2)27-20-9-4-5-10-21(20)30/h4-7,9-11,15,17H,3,8,12-14,16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine has a molecular weight of 403.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine is sourced from PubChem (CID 111352270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).