5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine

C16H21N3 — CID 62219770

IUPAC5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(Cc2ccccc2)c1N
InChIInChI=1S/C16H21N3/c1-3-8-15-18-14(16(17)19(15)11-4-2)12-13-9-6-5-7-10-13/h4-7,9-10H,2-3,8,11-12,17H2,1H3
InChIKeyDUEOHISFGHELSQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.19
Rot. Bonds6

About 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine

5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 62219770) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID62219770
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(Cc2ccccc2)c1N
InChIInChI=1S/C16H21N3/c1-3-8-15-18-14(16(17)19(15)11-4-2)12-13-9-6-5-7-10-13/h4-7,9-10H,2-3,8,11-12,17H2,1H3
InChIKeyDUEOHISFGHELSQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine (CID 62219770) is 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(Cc2ccccc2)c1N.
What is the InChIKey of 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is DUEOHISFGHELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-8-15-18-14(16(17)19(15)11-4-2)12-13-9-6-5-7-10-13/h4-7,9-10H,2-3,8,11-12,17H2,1H3.
What are the key properties of 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine?
5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).