1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone

C23H20N4O3 — CID 59351198

IUPAC1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H20N4O3/c28-21(22-26-18-3-1-2-4-19(18)27-22)16-5-7-17(8-6-16)30-23-20(24-11-12-25-23)15-9-13-29-14-10-15/h1-8,11-12,15H,9-10,13-14H2,(H,26,27)
InChIKeyMRMLYEPTQBRISE-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.27
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 59351198) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID59351198
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H20N4O3/c28-21(22-26-18-3-1-2-4-19(18)27-22)16-5-7-17(8-6-16)30-23-20(24-11-12-25-23)15-9-13-29-14-10-15/h1-8,11-12,15H,9-10,13-14H2,(H,26,27)
InChIKeyMRMLYEPTQBRISE-UHFFFAOYSA-N
XLogP4.27
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone (CID 59351198) is 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is MRMLYEPTQBRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(22-26-18-3-1-2-4-19(18)27-22)16-5-7-17(8-6-16)30-23-20(24-11-12-25-23)15-9-13-29-14-10-15/h1-8,11-12,15H,9-10,13-14H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 400.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59351198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).