3-benzyl-2-ethyl-5-propylimidazol-4-amine

C15H21N3 — CID 55048826

IUPAC3-benzyl-2-ethyl-5-propylimidazol-4-amine
SMILESCCCc1nc(CC)n(Cc2ccccc2)c1N
InChIInChI=1S/C15H21N3/c1-3-8-13-15(16)18(14(4-2)17-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11,16H2,1-2H3
InChIKeyLUODIBGKBSYJCJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.03
Rot. Bonds5

About 3-benzyl-2-ethyl-5-propylimidazol-4-amine

3-benzyl-2-ethyl-5-propylimidazol-4-amine (PubChem CID 55048826) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-benzyl-2-ethyl-5-propylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-ethyl-5-propylimidazol-4-amine
PubChem CID55048826
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-benzyl-2-ethyl-5-propylimidazol-4-amine
SMILESCCCc1nc(CC)n(Cc2ccccc2)c1N
InChIInChI=1S/C15H21N3/c1-3-8-13-15(16)18(14(4-2)17-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11,16H2,1-2H3
InChIKeyLUODIBGKBSYJCJ-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-ethyl-5-propylimidazol-4-amine?
The IUPAC name of 3-benzyl-2-ethyl-5-propylimidazol-4-amine (CID 55048826) is 3-benzyl-2-ethyl-5-propylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-ethyl-5-propylimidazol-4-amine?
The canonical SMILES for 3-benzyl-2-ethyl-5-propylimidazol-4-amine is CCCc1nc(CC)n(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-2-ethyl-5-propylimidazol-4-amine?
The InChIKey is LUODIBGKBSYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-8-13-15(16)18(14(4-2)17-13)11-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11,16H2,1-2H3.
What are the key properties of 3-benzyl-2-ethyl-5-propylimidazol-4-amine?
3-benzyl-2-ethyl-5-propylimidazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-ethyl-5-propylimidazol-4-amine is sourced from PubChem (CID 55048826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).