7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one

C23H16ClN3O2S — CID 22333215

IUPAC7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc2nc(Sc3c(-c4ccccc4)c4ccc(Cl)cc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C23H16ClN3O2S/c1-29-15-8-10-17-19(12-15)27-23(26-17)30-21-20(13-5-3-2-4-6-13)16-9-7-14(24)11-18(16)25-22(21)28/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyZLLVVXYEZWBWCU-UHFFFAOYSA-N
MW433.92 g/mol
LogP5.88
Rot. Bonds4

About 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one

7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 22333215) has the molecular formula C23H16ClN3O2S and a molecular weight of 433.92 g/mol. Its IUPAC name is 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
PubChem CID22333215
Molecular FormulaC23H16ClN3O2S
Molecular Weight433.92 g/mol
Exact Mass433.07
IUPAC Name7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc2nc(Sc3c(-c4ccccc4)c4ccc(Cl)cc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C23H16ClN3O2S/c1-29-15-8-10-17-19(12-15)27-23(26-17)30-21-20(13-5-3-2-4-6-13)16-9-7-14(24)11-18(16)25-22(21)28/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyZLLVVXYEZWBWCU-UHFFFAOYSA-N
XLogP5.88
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 135447621
6-chloro-3-[(E)-3-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247947
3-(1H-benzimidazol-2-ylsulfanyl)-7-chloro-4-(2-chlorophenyl)-1H-quinolin-2-one;butan-1-ol
CID 132922336
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole
CID 7225600
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
CID 134816586
6-chloro-3-[4-(2-methoxyethyl)pyrimidin-2-yl]sulfanyl-4-phenyl-1H-quinolin-2-one
CID 146253649
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one (CID 22333215) is 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one is COc1ccc2nc(Sc3c(-c4ccccc4)c4ccc(Cl)cc4[nH]c3=O)[nH]c2c1.
What is the InChIKey of 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is ZLLVVXYEZWBWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2S/c1-29-15-8-10-17-19(12-15)27-23(26-17)30-21-20(13-5-3-2-4-6-13)16-9-7-14(24)11-18(16)25-22(21)28/h2-12H,1H3,(H,25,28)(H,26,27).
What are the key properties of 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one?
7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 433.92 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 22333215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).