1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide

C20H32IN5 — CID 111775325

IUPAC1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1nccn1CC(C)C)NCC(C)c1ccccc1.I
InChIInChI=1S/C20H31N5.HI/c1-5-21-20(23-13-17(4)18-9-7-6-8-10-18)24-14-19-22-11-12-25(19)15-16(2)3;/h6-12,16-17H,5,13-15H2,1-4H3,(H2,21,23,24);1H
InChIKeyWQRHXMITADAHTM-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.02
Rot. Bonds8

About 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide

1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111775325) has the molecular formula C20H32IN5 and a molecular weight of 469.42 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111775325
Molecular FormulaC20H32IN5
Molecular Weight469.42 g/mol
Exact Mass469.17
IUPAC Name1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1nccn1CC(C)C)NCC(C)c1ccccc1.I
InChIInChI=1S/C20H31N5.HI/c1-5-21-20(23-13-17(4)18-9-7-6-8-10-18)24-14-19-22-11-12-25(19)15-16(2)3;/h6-12,16-17H,5,13-15H2,1-4H3,(H2,21,23,24);1H
InChIKeyWQRHXMITADAHTM-UHFFFAOYSA-N
XLogP4.02
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.02
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 109493673
1-ethyl-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111774629
1-ethyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111775411
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472076
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111771103
2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775752
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776909
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,2-diphenylethyl)-3-ethylguanidine
CID 111357016
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109493986
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111770853
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide (CID 111775325) is 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\Cc1nccn1CC(C)C)NCC(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is WQRHXMITADAHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5.HI/c1-5-21-20(23-13-17(4)18-9-7-6-8-10-18)24-14-19-22-11-12-25(19)15-16(2)3;/h6-12,16-17H,5,13-15H2,1-4H3,(H2,21,23,24);1H.
What are the key properties of 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide?
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 469.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111775325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).