5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine

C14H20F2N4 — CID 79496550

IUPAC5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyKDLHRNBHXWOMCB-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.37
Rot. Bonds4

About 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine

5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 79496550) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
PubChem CID79496550
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyKDLHRNBHXWOMCB-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (CID 79496550) is 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is CN(C)CCN1C(N)=NCC1(C)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is KDLHRNBHXWOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 282.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79496550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).