2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide

C12H24IN5 — CID 111818003

IUPAC2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1nccn1CC(C)C.I
InChIInChI=1S/C12H23N5.HI/c1-4-5-15-12(13)16-8-11-14-6-7-17(11)9-10(2)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H3,13,15,16);1H
InChIKeyFYXSSNKJQDDXPJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.97
Rot. Bonds6

About 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide

2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide (PubChem CID 111818003) has the molecular formula C12H24IN5 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
PubChem CID111818003
Molecular FormulaC12H24IN5
Molecular Weight365.26 g/mol
Exact Mass365.11
IUPAC Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1nccn1CC(C)C.I
InChIInChI=1S/C12H23N5.HI/c1-4-5-15-12(13)16-8-11-14-6-7-17(11)9-10(2)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H3,13,15,16);1H
InChIKeyFYXSSNKJQDDXPJ-UHFFFAOYSA-N
XLogP1.97
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.97
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-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111818024
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817965
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472076
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111817947
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776909
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111775325
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-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111770853

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide (CID 111818003) is 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1nccn1CC(C)C.I.
What is the InChIKey of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide?
The InChIKey is FYXSSNKJQDDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5.HI/c1-4-5-15-12(13)16-8-11-14-6-7-17(11)9-10(2)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H3,13,15,16);1H.
What are the key properties of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide?
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide has a molecular weight of 365.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111818003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).