1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

C15H26F2N6 — CID 111017789

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCc2nccn2C(F)F)CC1
InChIInChI=1S/C15H26F2N6/c1-3-7-22-8-4-12(5-9-22)21-15(18-2)20-11-13-19-6-10-23(13)14(16)17/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H2,18,20,21)
InChIKeyDMFNCPYAOIUYDY-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.82
Rot. Bonds6

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111017789) has the molecular formula C15H26F2N6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111017789
Molecular FormulaC15H26F2N6
Molecular Weight328.41 g/mol
Exact Mass328.22
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCc2nccn2C(F)F)CC1
InChIInChI=1S/C15H26F2N6/c1-3-7-22-8-4-12(5-9-22)21-15(18-2)20-11-13-19-6-10-23(13)14(16)17/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H2,18,20,21)
InChIKeyDMFNCPYAOIUYDY-UHFFFAOYSA-N
XLogP1.82
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256676
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018628
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-nonylguanidine
CID 111386127
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019801
2-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111016766
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018490
1-(3-cyclopentylpropyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111946466
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111780239
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018011
1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine
CID 111917065
2-methyl-1-(1-propylpiperidin-4-yl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111020073
2-methyl-1-(1-propylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)guanidine
CID 111018071

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (CID 111017789) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/C)NCc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is DMFNCPYAOIUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N6/c1-3-7-22-8-4-12(5-9-22)21-15(18-2)20-11-13-19-6-10-23(13)14(16)17/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 328.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111017789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).