1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine

C15H23FN4 — CID 79496553

IUPAC1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cc2)CN=C(N)N1CCN(C)C
InChIInChI=1S/C15H23FN4/c1-4-15(12-5-7-13(16)8-6-12)11-18-14(17)20(15)10-9-19(2)3/h5-8H,4,9-11H2,1-3H3,(H2,17,18)
InChIKeyCFKRAJRJDZTSRN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine

1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine (PubChem CID 79496553) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine
PubChem CID79496553
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cc2)CN=C(N)N1CCN(C)C
InChIInChI=1S/C15H23FN4/c1-4-15(12-5-7-13(16)8-6-12)11-18-14(17)20(15)10-9-19(2)3/h5-8H,4,9-11H2,1-3H3,(H2,17,18)
InChIKeyCFKRAJRJDZTSRN-UHFFFAOYSA-N
XLogP1.62
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine (CID 79496553) is 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine is CCC1(c2ccc(F)cc2)CN=C(N)N1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine?
The InChIKey is CFKRAJRJDZTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-4-15(12-5-7-13(16)8-6-12)11-18-14(17)20(15)10-9-19(2)3/h5-8H,4,9-11H2,1-3H3,(H2,17,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine?
1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-ethyl-5-(4-fluorophenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79496553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).