2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C23H22N4O2 — CID 141466244

IUPAC2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=CC(=O)N1CCn2c(nc(-c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1
InChIInChI=1S/C23H22N4O2/c1-2-20(28)26-12-13-27-19(15-26)25-21(22(27)23(24)29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h2-11H,1,12-15H2,(H2,24,29)
InChIKeyQJSRWJHCSQBGHR-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 141466244) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID141466244
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=CC(=O)N1CCn2c(nc(-c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1
InChIInChI=1S/C23H22N4O2/c1-2-20(28)26-12-13-27-19(15-26)25-21(22(27)23(24)29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h2-11H,1,12-15H2,(H2,24,29)
InChIKeyQJSRWJHCSQBGHR-UHFFFAOYSA-N
XLogP2.77
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 141466244) is 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is C=CC(=O)N1CCn2c(nc(-c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is QJSRWJHCSQBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-20(28)26-12-13-27-19(15-26)25-21(22(27)23(24)29)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h2-11H,1,12-15H2,(H2,24,29).
What are the key properties of 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)-7-prop-2-enoyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 141466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).