N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine

C14H18F2N4 — CID 104859070

IUPACN'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1nccn1C(F)F
InChIInChI=1S/C14H18F2N4/c15-14(16)20-9-7-18-13(20)11-19(8-6-17)10-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,17H2
InChIKeyZZUNXZODWVKVBT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.24
Rot. Bonds7

About N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine

N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine (PubChem CID 104859070) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
PubChem CID104859070
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC NameN'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1nccn1C(F)F
InChIInChI=1S/C14H18F2N4/c15-14(16)20-9-7-18-13(20)11-19(8-6-17)10-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,17H2
InChIKeyZZUNXZODWVKVBT-UHFFFAOYSA-N
XLogP2.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
CID 120872637
N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 87013843
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
CID 71920109
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
CID 75441699

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine (CID 104859070) is N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine is NCCN(Cc1ccccc1)Cc1nccn1C(F)F.
What is the InChIKey of N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is ZZUNXZODWVKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c15-14(16)20-9-7-18-13(20)11-19(8-6-17)10-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,17H2.
What are the key properties of N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine?
N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 104859070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).