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

C19H16N4O — CID 135674313

IUPAC2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnccn2c1NCc1ccccc1
InChIInChI=1S/C19H16N4O/c24-16-9-5-4-8-15(16)18-19(21-12-14-6-2-1-3-7-14)23-11-10-20-13-17(23)22-18/h1-11,13,21,24H,12H2
InChIKeyLYMNIKRXVFDWGX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.71
Rot. Bonds4

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

2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135674313) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135674313
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnccn2c1NCc1ccccc1
InChIInChI=1S/C19H16N4O/c24-16-9-5-4-8-15(16)18-19(21-12-14-6-2-1-3-7-14)23-11-10-20-13-17(23)22-18/h1-11,13,21,24H,12H2
InChIKeyLYMNIKRXVFDWGX-UHFFFAOYSA-N
XLogP3.71
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135674313) is 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is Oc1ccccc1-c1nc2cnccn2c1NCc1ccccc1.
What is the InChIKey of 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is LYMNIKRXVFDWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-16-9-5-4-8-15(16)18-19(21-12-14-6-2-1-3-7-14)23-11-10-20-13-17(23)22-18/h1-11,13,21,24H,12H2.
What are the key properties of 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135674313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).