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

C19H20N6O2 — CID 66699719

IUPAC5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1
InChIInChI=1S/C19H20N6O2/c1-11-21-14-3-2-13(8-15(14)22-11)16-9-20-17-18(23-16)25(19(26)24-17)10-12-4-6-27-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,22)(H,20,24,26)
InChIKeyXVBAVXOJSWREDX-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.40
Rot. Bonds3

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

5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699719) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699719
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1
InChIInChI=1S/C19H20N6O2/c1-11-21-14-3-2-13(8-15(14)22-11)16-9-20-17-18(23-16)25(19(26)24-17)10-12-4-6-27-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,22)(H,20,24,26)
InChIKeyXVBAVXOJSWREDX-UHFFFAOYSA-N
XLogP2.40
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699719) is 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is Cc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)cc2[nH]1.
What is the InChIKey of 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is XVBAVXOJSWREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-21-14-3-2-13(8-15(14)22-11)16-9-20-17-18(23-16)25(19(26)24-17)10-12-4-6-27-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,22)(H,20,24,26).
What are the key properties of 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).