2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C19H28IN5 — CID 111817947

IUPAC2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)Nc1cccc2c1CCCC2.I
InChIInChI=1S/C19H27N5.HI/c1-14(2)13-24-11-10-21-18(24)12-22-19(20)23-17-9-5-7-15-6-3-4-8-16(15)17;/h5,7,9-11,14H,3-4,6,8,12-13H2,1-2H3,(H3,20,22,23);1H
InChIKeyMOCUKIXUAJJFHO-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.96
Rot. Bonds5

About 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 111817947) has the molecular formula C19H28IN5 and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID111817947
Molecular FormulaC19H28IN5
Molecular Weight453.37 g/mol
Exact Mass453.14
IUPAC Name2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)Nc1cccc2c1CCCC2.I
InChIInChI=1S/C19H27N5.HI/c1-14(2)13-24-11-10-21-18(24)12-22-19(20)23-17-9-5-7-15-6-3-4-8-16(15)17;/h5,7,9-11,14H,3-4,6,8,12-13H2,1-2H3,(H3,20,22,23);1H
InChIKeyMOCUKIXUAJJFHO-UHFFFAOYSA-N
XLogP3.96
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.96
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-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119142380
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817965
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 119142337
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032765
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720842
2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721416
2-[(4-ethyl-2-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120671939
2-(isoquinolin-1-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720826

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 111817947) is 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is CC(C)Cn1ccnc1C/N=C(\N)Nc1cccc2c1CCCC2.I.
What is the InChIKey of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is MOCUKIXUAJJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.HI/c1-14(2)13-24-11-10-21-18(24)12-22-19(20)23-17-9-5-7-15-6-3-4-8-16(15)17;/h5,7,9-11,14H,3-4,6,8,12-13H2,1-2H3,(H3,20,22,23);1H.
What are the key properties of 2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 453.37 g/mol, XLogP of 3.96, 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-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 111817947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).