3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one

C16H11N3O2 — CID 135433815

IUPAC3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O2/c20-14-9-5-1-2-6-10(9)19-16(21)13(14)15-17-11-7-3-4-8-12(11)18-15/h1-8H,(H,17,18)(H2,19,20,21)
InChIKeyYXCWBNCDJZEBKY-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.78
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one (PubChem CID 135433815) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one
PubChem CID135433815
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O2/c20-14-9-5-1-2-6-10(9)19-16(21)13(14)15-17-11-7-3-4-8-12(11)18-15/h1-8H,(H,17,18)(H2,19,20,21)
InChIKeyYXCWBNCDJZEBKY-UHFFFAOYSA-N
XLogP2.78
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one (CID 135433815) is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one?
The InChIKey is YXCWBNCDJZEBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-14-9-5-1-2-6-10(9)19-16(21)13(14)15-17-11-7-3-4-8-12(11)18-15/h1-8H,(H,17,18)(H2,19,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one has a molecular weight of 277.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 135433815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).