3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one

C23H15Cl2N3O — CID 15944646

IUPAC3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
SMILESO=c1c(-c2nc3ccccc3[nH]2)c(Cl)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H15Cl2N3O/c24-15-10-11-19-16(12-15)21(25)20(22-26-17-8-4-5-9-18(17)27-22)23(29)28(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27)
InChIKeySYGOKQXPKMWHLK-UHFFFAOYSA-N
MW420.30 g/mol
LogP5.90
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one

3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one (PubChem CID 15944646) has the molecular formula C23H15Cl2N3O and a molecular weight of 420.30 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
PubChem CID15944646
Molecular FormulaC23H15Cl2N3O
Molecular Weight420.30 g/mol
Exact Mass419.06
IUPAC Name3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
SMILESO=c1c(-c2nc3ccccc3[nH]2)c(Cl)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H15Cl2N3O/c24-15-10-11-19-16(12-15)21(25)20(22-26-17-8-4-5-9-18(17)27-22)23(29)28(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27)
InChIKeySYGOKQXPKMWHLK-UHFFFAOYSA-N
XLogP5.90
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one (CID 15944646) is 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one is O=c1c(-c2nc3ccccc3[nH]2)c(Cl)c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one?
The InChIKey is SYGOKQXPKMWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O/c24-15-10-11-19-16(12-15)21(25)20(22-26-17-8-4-5-9-18(17)27-22)23(29)28(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one?
3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one has a molecular weight of 420.30 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one is sourced from PubChem (CID 15944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).