1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine

C15H22F2N4 — CID 79501998

IUPAC1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyGEWOIANYORSCFU-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine

1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79501998) has the molecular formula C15H22F2N4 and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79501998
Molecular FormulaC15H22F2N4
Molecular Weight296.36 g/mol
Exact Mass296.18
IUPAC Name1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyGEWOIANYORSCFU-UHFFFAOYSA-N
XLogP1.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79501998) is 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is GEWOIANYORSCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 296.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).