1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine

C17H23F2N5 — CID 111938481

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(C)cc1C)NCc1nccn1C(F)F
InChIInChI=1S/C17H23F2N5/c1-4-20-17(22-10-14-6-5-12(2)9-13(14)3)23-11-15-21-7-8-24(15)16(18)19/h5-9,16H,4,10-11H2,1-3H3,(H2,20,22,23)
InChIKeyZBIXVEJBEWUJCM-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.15
Rot. Bonds6

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine (PubChem CID 111938481) has the molecular formula C17H23F2N5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine
PubChem CID111938481
Molecular FormulaC17H23F2N5
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(C)cc1C)NCc1nccn1C(F)F
InChIInChI=1S/C17H23F2N5/c1-4-20-17(22-10-14-6-5-12(2)9-13(14)3)23-11-15-21-7-8-24(15)16(18)19/h5-9,16H,4,10-11H2,1-3H3,(H2,20,22,23)
InChIKeyZBIXVEJBEWUJCM-UHFFFAOYSA-N
XLogP3.15
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.15
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'}

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]guanidine
CID 111854022
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851519
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955705
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111938706
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276891
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967811
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111938401
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,2-diphenylethyl)-3-ethylguanidine
CID 111357016
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111225204
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111938287
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111937717
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 111937891

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine (CID 111938481) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccc(C)cc1C)NCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine?
The InChIKey is ZBIXVEJBEWUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5/c1-4-20-17(22-10-14-6-5-12(2)9-13(14)3)23-11-15-21-7-8-24(15)16(18)19/h5-9,16H,4,10-11H2,1-3H3,(H2,20,22,23).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine has a molecular weight of 335.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine is sourced from PubChem (CID 111938481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).