1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide

C12H19F3IN5 — CID 119121482

IUPAC1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CC(F)(F)F)NC1CCCC1
InChIInChI=1S/C12H18F3N5.HI/c13-12(14,15)8-20-6-5-17-10(20)7-18-11(16)19-9-3-1-2-4-9;/h5-6,9H,1-4,7-8H2,(H3,16,18,19);1H
InChIKeyLRVDNVPZCDLQQP-UHFFFAOYSA-N
MW417.22 g/mol
LogP2.41
Rot. Bonds4

About 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide

1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 119121482) has the molecular formula C12H19F3IN5 and a molecular weight of 417.22 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID119121482
Molecular FormulaC12H19F3IN5
Molecular Weight417.22 g/mol
Exact Mass417.06
IUPAC Name1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CC(F)(F)F)NC1CCCC1
InChIInChI=1S/C12H18F3N5.HI/c13-12(14,15)8-20-6-5-17-10(20)7-18-11(16)19-9-3-1-2-4-9;/h5-6,9H,1-4,7-8H2,(H3,16,18,19);1H
InChIKeyLRVDNVPZCDLQQP-UHFFFAOYSA-N
XLogP2.41
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 52.41
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
1-cyclopentyl-2-methyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119116693
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119142380
1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 75512611
4-pyrimidin-2-yl-N'-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119121480
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050169
2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 120762688
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050353
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 119121482) is 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1nccn1CC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is LRVDNVPZCDLQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5.HI/c13-12(14,15)8-20-6-5-17-10(20)7-18-11(16)19-9-3-1-2-4-9;/h5-6,9H,1-4,7-8H2,(H3,16,18,19);1H.
What are the key properties of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 417.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119121482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).