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

C12H24IN5 — CID 111817931

IUPAC2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)NC(C)C.I
InChIInChI=1S/C12H23N5.HI/c1-9(2)8-17-6-5-14-11(17)7-15-12(13)16-10(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H3,13,15,16);1H
InChIKeyQHJSFWPJIVBGNR-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.97
Rot. Bonds5

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

2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111817931) 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-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111817931
Molecular FormulaC12H24IN5
Molecular Weight365.26 g/mol
Exact Mass365.11
IUPAC Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)NC(C)C.I
InChIInChI=1S/C12H23N5.HI/c1-9(2)8-17-6-5-14-11(17)7-15-12(13)16-10(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H3,13,15,16);1H
InChIKeyQHJSFWPJIVBGNR-UHFFFAOYSA-N
XLogP1.97
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817965
1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111818024
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111817947
1-(6-methylheptan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911581
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylguanidine
CID 130835589
tert-butyl 4-[N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111817974
N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111818029
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776909

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111817931) is 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)Cn1ccnc1C/N=C(\N)NC(C)C.I.
What is the InChIKey of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is QHJSFWPJIVBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5.HI/c1-9(2)8-17-6-5-14-11(17)7-15-12(13)16-10(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H3,13,15,16);1H.
What are the key properties of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 365.26 g/mol, XLogP of 1.97, 5 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-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111817931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).