2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C19H16N4O — CID 135472762

IUPAC2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1
InChIInChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)21-19-18(15-4-2-3-5-16(15)24)22-17-12-20-10-11-23(17)19/h2-12,21,24H,1H3
InChIKeyJXUQURIEOZRBNV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.15
Rot. Bonds3

About 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135472762) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135472762
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1
InChIInChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)21-19-18(15-4-2-3-5-16(15)24)22-17-12-20-10-11-23(17)19/h2-12,21,24H,1H3
InChIKeyJXUQURIEOZRBNV-UHFFFAOYSA-N
XLogP4.15
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135472762) is 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1.
What is the InChIKey of 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is JXUQURIEOZRBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-6-8-14(9-7-13)21-19-18(15-4-2-3-5-16(15)24)22-17-12-20-10-11-23(17)19/h2-12,21,24H,1H3.
What are the key properties of 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135472762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).