3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one

C16H9FIN3O — CID 172707938

IUPAC3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)c(I)cc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H9FIN3O/c17-10-7-14-8(6-11(10)18)5-9(16(22)21-14)15-19-12-3-1-2-4-13(12)20-15/h1-7H,(H,19,20)(H,21,22)
InChIKeyDVVCABRYFPYQJN-UHFFFAOYSA-N
MW405.17 g/mol
LogP3.82
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one (PubChem CID 172707938) has the molecular formula C16H9FIN3O and a molecular weight of 405.17 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
PubChem CID172707938
Molecular FormulaC16H9FIN3O
Molecular Weight405.17 g/mol
Exact Mass404.98
IUPAC Name3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)c(I)cc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H9FIN3O/c17-10-7-14-8(6-11(10)18)5-9(16(22)21-14)15-19-12-3-1-2-4-13(12)20-15/h1-7H,(H,19,20)(H,21,22)
InChIKeyDVVCABRYFPYQJN-UHFFFAOYSA-N
XLogP3.82
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.17
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
CID 172767226
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
2-(5-fluoro-1-benzothiophen-6-yl)-1H-benzimidazole
CID 168555424
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 66497017
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one (CID 172707938) is 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one is O=c1[nH]c2cc(F)c(I)cc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one?
The InChIKey is DVVCABRYFPYQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FIN3O/c17-10-7-14-8(6-11(10)18)5-9(16(22)21-14)15-19-12-3-1-2-4-13(12)20-15/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one has a molecular weight of 405.17 g/mol, XLogP of 3.82, 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)-7-fluoro-6-iodo-1H-quinolin-2-one is sourced from PubChem (CID 172707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).