5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one

C16H18N4O2 — CID 66864057

IUPAC5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(C(C)(C)O)nc21
InChIInChI=1S/C16H18N4O2/c1-10(11-7-5-4-6-8-11)20-14-13(19-15(20)21)17-9-12(18-14)16(2,3)22/h4-10,22H,1-3H3,(H,17,19,21)
InChIKeyDXQMTYNFSGEMLQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.96
Rot. Bonds3

About 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66864057) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66864057
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(C(C)(C)O)nc21
InChIInChI=1S/C16H18N4O2/c1-10(11-7-5-4-6-8-11)20-14-13(19-15(20)21)17-9-12(18-14)16(2,3)22/h4-10,22H,1-3H3,(H,17,19,21)
InChIKeyDXQMTYNFSGEMLQ-UHFFFAOYSA-N
XLogP1.96
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66864057) is 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one is CC(c1ccccc1)n1c(=O)[nH]c2ncc(C(C)(C)O)nc21.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is DXQMTYNFSGEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(11-7-5-4-6-8-11)20-14-13(19-15(20)21)17-9-12(18-14)16(2,3)22/h4-10,22H,1-3H3,(H,17,19,21).
What are the key properties of 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 298.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66864057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).