N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine

C15H19F2N3 — CID 106570314

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3/c1-11(2)10-20-6-5-19-15(20)18-4-3-12-7-13(16)9-14(17)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyXSTXLZFBJBPHPG-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine

N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106570314) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106570314
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3/c1-11(2)10-20-6-5-19-15(20)18-4-3-12-7-13(16)9-14(17)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyXSTXLZFBJBPHPG-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565060
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 100663003
N-(2-cyclopentylethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106563409
N',N'-diethyl-N-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558821
N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582532
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106581892
N'-cyclopropyl-N'-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
CID 106571499
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106569127
N-(2-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580216

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine (CID 106570314) is N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is XSTXLZFBJBPHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-11(2)10-20-6-5-19-15(20)18-4-3-12-7-13(16)9-14(17)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106570314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).