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

C16H11N3O — CID 135402853

IUPAC3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O/c20-16-11(9-10-5-1-2-6-12(10)19-16)15-17-13-7-3-4-8-14(13)18-15/h1-9H,(H,17,18)(H,19,20)
InChIKeyCMHODBMVRLRLOW-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.07
Rot. Bonds1

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

3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one (PubChem CID 135402853) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one
PubChem CID135402853
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O/c20-16-11(9-10-5-1-2-6-12(10)19-16)15-17-13-7-3-4-8-14(13)18-15/h1-9H,(H,17,18)(H,19,20)
InChIKeyCMHODBMVRLRLOW-UHFFFAOYSA-N
XLogP3.07
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one (CID 135402853) is 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one?
The InChIKey is CMHODBMVRLRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-11(9-10-5-1-2-6-12(10)19-16)15-17-13-7-3-4-8-14(13)18-15/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one has a molecular weight of 261.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135402853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).