(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine

C20H21N3 — CID 16663364

IUPAC(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine
SMILESC(=C/c1cn(Cc2ccccc2)cn1)\CNCc1ccccc1
InChIInChI=1S/C20H21N3/c1-3-8-18(9-4-1)14-21-13-7-12-20-16-23(17-22-20)15-19-10-5-2-6-11-19/h1-12,16-17,21H,13-15H2/b12-7+
InChIKeyHVANCMYHJNXOMF-KPKJPENVSA-N
MW303.41 g/mol
LogP3.73
Rot. Bonds7

About (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine

(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine (PubChem CID 16663364) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine
PubChem CID16663364
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine
SMILESC(=C/c1cn(Cc2ccccc2)cn1)\CNCc1ccccc1
InChIInChI=1S/C20H21N3/c1-3-8-18(9-4-1)14-21-13-7-12-20-16-23(17-22-20)15-19-10-5-2-6-11-19/h1-12,16-17,21H,13-15H2/b12-7+
InChIKeyHVANCMYHJNXOMF-KPKJPENVSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine (CID 16663364) is (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine is C(=C/c1cn(Cc2ccccc2)cn1)\CNCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine?
The InChIKey is HVANCMYHJNXOMF-KPKJPENVSA-N. The full InChI is InChI=1S/C20H21N3/c1-3-8-18(9-4-1)14-21-13-7-12-20-16-23(17-22-20)15-19-10-5-2-6-11-19/h1-12,16-17,21H,13-15H2/b12-7+.
What are the key properties of (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine?
(E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine has a molecular weight of 303.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(1-benzylimidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 16663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).