2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine

C23H29N5 — CID 111233809

IUPAC2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C23H29N5/c1-2-25-23(27-16-18-28-17-15-24-19-28)26-14-13-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,17,19,22H,2,13-14,16,18H2,1H3,(H2,25,26,27)
InChIKeyZNIGFCZNKMYIKH-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.66
Rot. Bonds9

About 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine

2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine (PubChem CID 111233809) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
PubChem CID111233809
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C23H29N5/c1-2-25-23(27-16-18-28-17-15-24-19-28)26-14-13-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,17,19,22H,2,13-14,16,18H2,1H3,(H2,25,26,27)
InChIKeyZNIGFCZNKMYIKH-UHFFFAOYSA-N
XLogP3.66
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111361966
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111676998
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(pyridin-2-ylmethyl)guanidine
CID 110970281
2-[2-(4-tert-butylphenyl)ethyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111892068
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856253
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111659463
1-(3,3-diphenylpropyl)-3-ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111513002
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[2-(4-methylphenyl)propyl]guanidine
CID 111622322
1-ethyl-2-[3-(4-fluorophenyl)sulfanylpropyl]-3-(2-imidazol-1-ylethyl)guanidine
CID 111311382
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine?
The IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine (CID 111233809) is 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine.
What is the SMILES notation for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine?
The canonical SMILES for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine is CCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCn1ccnc1.
What is the InChIKey of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine?
The InChIKey is ZNIGFCZNKMYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-2-25-23(27-16-18-28-17-15-24-19-28)26-14-13-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,17,19,22H,2,13-14,16,18H2,1H3,(H2,25,26,27).
What are the key properties of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine?
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine has a molecular weight of 375.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine is sourced from PubChem (CID 111233809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).