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

C16H26N4 — CID 79496547

IUPAC5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine
SMILESCCC1(Cc2ccccc2)CN=C(N)N1CCN(C)C
InChIInChI=1S/C16H26N4/c1-4-16(12-14-8-6-5-7-9-14)13-18-15(17)20(16)11-10-19(2)3/h5-9H,4,10-13H2,1-3H3,(H2,17,18)
InChIKeyMVPKMZHGGQSCRJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.57
Rot. Bonds6

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

5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine (PubChem CID 79496547) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine
PubChem CID79496547
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine
SMILESCCC1(Cc2ccccc2)CN=C(N)N1CCN(C)C
InChIInChI=1S/C16H26N4/c1-4-16(12-14-8-6-5-7-9-14)13-18-15(17)20(16)11-10-19(2)3/h5-9H,4,10-13H2,1-3H3,(H2,17,18)
InChIKeyMVPKMZHGGQSCRJ-UHFFFAOYSA-N
XLogP1.57
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine?
The IUPAC name of 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine (CID 79496547) is 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine?
The canonical SMILES for 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine is CCC1(Cc2ccccc2)CN=C(N)N1CCN(C)C.
What is the InChIKey of 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine?
The InChIKey is MVPKMZHGGQSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-16(12-14-8-6-5-7-9-14)13-18-15(17)20(16)11-10-19(2)3/h5-9H,4,10-13H2,1-3H3,(H2,17,18).
What are the key properties of 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine?
5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-[2-(dimethylamino)ethyl]-5-ethyl-4H-imidazol-2-amine is sourced from PubChem (CID 79496547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).