5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C18H19N7O2 — CID 123455949

IUPAC5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3nc4[nH]c(=O)[nH]c4nc3CC3CCOCC3)cc2[nH]1
InChIInChI=1S/C18H19N7O2/c19-17-21-11-2-1-10(8-12(11)22-17)14-13(7-9-3-5-27-6-4-9)20-15-16(23-14)25-18(26)24-15/h1-2,8-9H,3-7H2,(H3,19,21,22)(H2,20,23,24,25,26)
InChIKeyPVQJMDSGBOBTIP-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.74
Rot. Bonds3

About 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 123455949) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID123455949
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3nc4[nH]c(=O)[nH]c4nc3CC3CCOCC3)cc2[nH]1
InChIInChI=1S/C18H19N7O2/c19-17-21-11-2-1-10(8-12(11)22-17)14-13(7-9-3-5-27-6-4-9)20-15-16(23-14)25-18(26)24-15/h1-2,8-9H,3-7H2,(H3,19,21,22)(H2,20,23,24,25,26)
InChIKeyPVQJMDSGBOBTIP-UHFFFAOYSA-N
XLogP1.74
TPSA138.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 123455949) is 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is Nc1nc2ccc(-c3nc4[nH]c(=O)[nH]c4nc3CC3CCOCC3)cc2[nH]1.
What is the InChIKey of 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is PVQJMDSGBOBTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c19-17-21-11-2-1-10(8-12(11)22-17)14-13(7-9-3-5-27-6-4-9)20-15-16(23-14)25-18(26)24-15/h1-2,8-9H,3-7H2,(H3,19,21,22)(H2,20,23,24,25,26).
What are the key properties of 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 365.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3H-benzimidazol-5-yl)-6-(oxan-4-ylmethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 123455949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).