3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one

C17H11Br2N3O — CID 166438711

IUPAC3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1
InChIInChI=1S/C17H11Br2N3O/c1-8-2-3-13-9(4-8)5-10(17(23)22-13)16-20-14-6-11(18)12(19)7-15(14)21-16/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKeyYSKMLLXBBBMSFM-UHFFFAOYSA-N
MW433.10 g/mol
LogP4.90
Rot. Bonds1

About 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one

3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one (PubChem CID 166438711) has the molecular formula C17H11Br2N3O and a molecular weight of 433.10 g/mol. Its IUPAC name is 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one
PubChem CID166438711
Molecular FormulaC17H11Br2N3O
Molecular Weight433.10 g/mol
Exact Mass430.93
IUPAC Name3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1
InChIInChI=1S/C17H11Br2N3O/c1-8-2-3-13-9(4-8)5-10(17(23)22-13)16-20-14-6-11(18)12(19)7-15(14)21-16/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKeyYSKMLLXBBBMSFM-UHFFFAOYSA-N
XLogP4.90
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.10
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
CID 91673788
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
CID 943820
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874508
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-4-yl-1H-pyridin-2-one
CID 137148027
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one (CID 166438711) is 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1.
What is the InChIKey of 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one?
The InChIKey is YSKMLLXBBBMSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2N3O/c1-8-2-3-13-9(4-8)5-10(17(23)22-13)16-20-14-6-11(18)12(19)7-15(14)21-16/h2-7H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one?
3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one has a molecular weight of 433.10 g/mol, XLogP of 4.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 166438711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).