1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide

C14H24F2IN5 — CID 110957619

IUPAC1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1nccn1C(F)F)NC1CCCCC1.I
InChIInChI=1S/C14H23F2N5.HI/c1-2-17-14(20-11-6-4-3-5-7-11)19-10-12-18-8-9-21(12)13(15)16;/h8-9,11,13H,2-7,10H2,1H3,(H2,17,19,20);1H
InChIKeyINLVMNMCJMTDLE-UHFFFAOYSA-N
MW427.28 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide

1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide (PubChem CID 110957619) has the molecular formula C14H24F2IN5 and a molecular weight of 427.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
PubChem CID110957619
Molecular FormulaC14H24F2IN5
Molecular Weight427.28 g/mol
Exact Mass427.10
IUPAC Name1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1nccn1C(F)F)NC1CCCCC1.I
InChIInChI=1S/C14H23F2N5.HI/c1-2-17-14(20-11-6-4-3-5-7-11)19-10-12-18-8-9-21(12)13(15)16;/h8-9,11,13H,2-7,10H2,1H3,(H2,17,19,20);1H
InChIKeyINLVMNMCJMTDLE-UHFFFAOYSA-N
XLogP3.28
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 53.28
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

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256010
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111261303
1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 110944014
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
CID 111921416
1-[(2-tert-butyloxan-3-yl)methyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 111622904
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,3-diphenylpropyl)-3-ethylguanidine
CID 111233663
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111348049
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,2-diphenylethyl)-3-ethylguanidine
CID 111357016
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021166
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744883
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276891
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 109389612

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide (CID 110957619) is 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1nccn1C(F)F)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is INLVMNMCJMTDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5.HI/c1-2-17-14(20-11-6-4-3-5-7-11)19-10-12-18-8-9-21(12)13(15)16;/h8-9,11,13H,2-7,10H2,1H3,(H2,17,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide?
1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 427.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110957619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).