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

C18H18N6O2 — CID 57394206

IUPAC5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C18H18N6O2/c25-18-23-16-17(24(18)9-11-3-5-26-6-4-11)22-15(8-19-16)12-1-2-13-14(7-12)21-10-20-13/h1-2,7-8,10-11H,3-6,9H2,(H,20,21)(H,19,23,25)
InChIKeyMOFWYHHARZYBAL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.09
Rot. Bonds3

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

5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57394206) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57394206
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C18H18N6O2/c25-18-23-16-17(24(18)9-11-3-5-26-6-4-11)22-15(8-19-16)12-1-2-13-14(7-12)21-10-20-13/h1-2,7-8,10-11H,3-6,9H2,(H,20,21)(H,19,23,25)
InChIKeyMOFWYHHARZYBAL-UHFFFAOYSA-N
XLogP2.09
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57394206) is 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCOCC1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is MOFWYHHARZYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18-23-16-17(24(18)9-11-3-5-26-6-4-11)22-15(8-19-16)12-1-2-13-14(7-12)21-10-20-13/h1-2,7-8,10-11H,3-6,9H2,(H,20,21)(H,19,23,25).
What are the key properties of 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57394206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).