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

C18H19N7O2 — CID 57399433

IUPAC5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1
InChIInChI=1S/C18H19N7O2/c19-17-22-12-2-1-11(7-13(12)23-17)14-8-20-15-16(21-14)25(18(26)24-15)9-10-3-5-27-6-4-10/h1-2,7-8,10H,3-6,9H2,(H3,19,22,23)(H,20,24,26)
InChIKeyCKKDKSVJTIVOCY-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.67
Rot. Bonds3

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

5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57399433) 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)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57399433
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1
InChIInChI=1S/C18H19N7O2/c19-17-22-12-2-1-11(7-13(12)23-17)14-8-20-15-16(21-14)25(18(26)24-15)9-10-3-5-27-6-4-10/h1-2,7-8,10H,3-6,9H2,(H3,19,22,23)(H,20,24,26)
InChIKeyCKKDKSVJTIVOCY-UHFFFAOYSA-N
XLogP1.67
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57399433) is 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is Nc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1.
What is the InChIKey of 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is CKKDKSVJTIVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c19-17-22-12-2-1-11(7-13(12)23-17)14-8-20-15-16(21-14)25(18(26)24-15)9-10-3-5-27-6-4-10/h1-2,7-8,10H,3-6,9H2,(H3,19,22,23)(H,20,24,26).
What are the key properties of 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 365.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57399433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).