5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C19H17N5O — CID 123446837

IUPAC5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESNc1cccc(-c2nc3[nH]c(=O)[nH]c3nc2CCc2ccccc2)c1
InChIInChI=1S/C19H17N5O/c20-14-8-4-7-13(11-14)16-15(10-9-12-5-2-1-3-6-12)21-17-18(22-16)24-19(25)23-17/h1-8,11H,9-10,20H2,(H2,21,22,23,24,25)
InChIKeyXMUJRGQFSPLGTO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.68
Rot. Bonds4

About 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 123446837) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID123446837
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESNc1cccc(-c2nc3[nH]c(=O)[nH]c3nc2CCc2ccccc2)c1
InChIInChI=1S/C19H17N5O/c20-14-8-4-7-13(11-14)16-15(10-9-12-5-2-1-3-6-12)21-17-18(22-16)24-19(25)23-17/h1-8,11H,9-10,20H2,(H2,21,22,23,24,25)
InChIKeyXMUJRGQFSPLGTO-UHFFFAOYSA-N
XLogP2.68
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
CID 136673208
6,7-diphenyl-4-sulfanylidene-1H-pteridin-2-one
CID 15563348
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-amine
CID 62879904
benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
CID 170456529

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 123446837) is 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is Nc1cccc(-c2nc3[nH]c(=O)[nH]c3nc2CCc2ccccc2)c1.
What is the InChIKey of 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is XMUJRGQFSPLGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-14-8-4-7-13(11-14)16-15(10-9-12-5-2-1-3-6-12)21-17-18(22-16)24-19(25)23-17/h1-8,11H,9-10,20H2,(H2,21,22,23,24,25).
What are the key properties of 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 331.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 123446837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).