1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one

C25H17N5O2 — CID 53383495

IUPAC1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
SMILESO=c1c(-c2ccco2)nc2ccccc2n1C(c1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H17N5O2/c31-25-22(21-13-7-15-32-21)27-18-10-3-4-12-20(18)30(25)23(19-11-5-6-14-26-19)24-28-16-8-1-2-9-17(16)29-24/h1-15,23H,(H,28,29)
InChIKeyNWGQGFXWBSXSGK-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.57
Rot. Bonds4

About 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one

1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one (PubChem CID 53383495) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
PubChem CID53383495
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
SMILESO=c1c(-c2ccco2)nc2ccccc2n1C(c1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H17N5O2/c31-25-22(21-13-7-15-32-21)27-18-10-3-4-12-20(18)30(25)23(19-11-5-6-14-26-19)24-28-16-8-1-2-9-17(16)29-24/h1-15,23H,(H,28,29)
InChIKeyNWGQGFXWBSXSGK-UHFFFAOYSA-N
XLogP4.57
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one?
The IUPAC name of 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one (CID 53383495) is 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one.
What is the SMILES notation for 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one?
The canonical SMILES for 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one is O=c1c(-c2ccco2)nc2ccccc2n1C(c1ccccn1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one?
The InChIKey is NWGQGFXWBSXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c31-25-22(21-13-7-15-32-21)27-18-10-3-4-12-20(18)30(25)23(19-11-5-6-14-26-19)24-28-16-8-1-2-9-17(16)29-24/h1-15,23H,(H,28,29).
What are the key properties of 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one?
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one has a molecular weight of 419.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one is sourced from PubChem (CID 53383495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).