N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C21H18N4O3 — CID 137120109

IUPACN-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-3-1-14(2-4-16)18-13-25-19(11-24-20(25)12-23-18)15-5-7-17(27)8-6-15/h1-8,11-13,26-27H,9-10H2,(H,22,28)
InChIKeyPBPSDABSTASTAF-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 137120109) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID137120109
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-3-1-14(2-4-16)18-13-25-19(11-24-20(25)12-23-18)15-5-7-17(27)8-6-15/h1-8,11-13,26-27H,9-10H2,(H,22,28)
InChIKeyPBPSDABSTASTAF-UHFFFAOYSA-N
XLogP2.49
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 137120109) is N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is O=C(NCCO)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is PBPSDABSTASTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-3-1-14(2-4-16)18-13-25-19(11-24-20(25)12-23-18)15-5-7-17(27)8-6-15/h1-8,11-13,26-27H,9-10H2,(H,22,28).
What are the key properties of N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 137120109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).