1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine

C17H28N4 — CID 79500886

IUPAC1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N4/c1-5-20(6-2)9-10-21-16(12-19-17(21)18)15-8-7-13(3)14(4)11-15/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H2,18,19)
InChIKeyIRNDSWAHLTXVPZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine

1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79500886) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79500886
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N4/c1-5-20(6-2)9-10-21-16(12-19-17(21)18)15-8-7-13(3)14(4)11-15/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H2,18,19)
InChIKeyIRNDSWAHLTXVPZ-UHFFFAOYSA-N
XLogP2.32
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.32
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-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine (CID 79500886) is 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is IRNDSWAHLTXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-20(6-2)9-10-21-16(12-19-17(21)18)15-8-7-13(3)14(4)11-15/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H2,18,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.32, 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-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79500886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).