3-quinolin-3-yl-1H-benzimidazol-2-one

C16H11N3O — CID 150795501

IUPAC3-quinolin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cnc2ccccc2c1
InChIInChI=1S/C16H11N3O/c20-16-18-14-7-3-4-8-15(14)19(16)12-9-11-5-1-2-6-13(11)17-10-12/h1-10H,(H,18,20)
InChIKeyKETCZJBDFQPSFV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.87
Rot. Bonds1

About 3-quinolin-3-yl-1H-benzimidazol-2-one

3-quinolin-3-yl-1H-benzimidazol-2-one (PubChem CID 150795501) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-quinolin-3-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-quinolin-3-yl-1H-benzimidazol-2-one
PubChem CID150795501
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-quinolin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cnc2ccccc2c1
InChIInChI=1S/C16H11N3O/c20-16-18-14-7-3-4-8-15(14)19(16)12-9-11-5-1-2-6-13(11)17-10-12/h1-10H,(H,18,20)
InChIKeyKETCZJBDFQPSFV-UHFFFAOYSA-N
XLogP2.87
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yl-1H-benzimidazol-2-one?
The IUPAC name of 3-quinolin-3-yl-1H-benzimidazol-2-one (CID 150795501) is 3-quinolin-3-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-quinolin-3-yl-1H-benzimidazol-2-one?
The canonical SMILES for 3-quinolin-3-yl-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1cnc2ccccc2c1.
What is the InChIKey of 3-quinolin-3-yl-1H-benzimidazol-2-one?
The InChIKey is KETCZJBDFQPSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-18-14-7-3-4-8-15(14)19(16)12-9-11-5-1-2-6-13(11)17-10-12/h1-10H,(H,18,20).
What are the key properties of 3-quinolin-3-yl-1H-benzimidazol-2-one?
3-quinolin-3-yl-1H-benzimidazol-2-one has a molecular weight of 261.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-3-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 150795501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).