3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one

C19H17N3O2 — CID 135537301

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one
SMILESCc1cc2nc(-c3c(O)c4ccccc4n(C)c3=O)[nH]c2cc1C
InChIInChI=1S/C19H17N3O2/c1-10-8-13-14(9-11(10)2)21-18(20-13)16-17(23)12-6-4-5-7-15(12)22(3)19(16)24/h4-9,23H,1-3H3,(H,20,21)
InChIKeyQKQODUBEBUCOGT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.40
Rot. Bonds1

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135537301) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one
PubChem CID135537301
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one
SMILESCc1cc2nc(-c3c(O)c4ccccc4n(C)c3=O)[nH]c2cc1C
InChIInChI=1S/C19H17N3O2/c1-10-8-13-14(9-11(10)2)21-18(20-13)16-17(23)12-6-4-5-7-15(12)22(3)19(16)24/h4-9,23H,1-3H3,(H,20,21)
InChIKeyQKQODUBEBUCOGT-UHFFFAOYSA-N
XLogP3.40
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568
2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135400710
4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one
CID 135481618
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
CID 102452373
2-(1,2-dimethylindol-3-yl)-6-nitro-1H-benzimidazole
CID 110538288
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
4-hydroxy-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-1-methylquinolin-2-one
CID 137224385
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-amino-3-[6-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methylquinolin-2-one
CID 160669425

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one (CID 135537301) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one is Cc1cc2nc(-c3c(O)c4ccccc4n(C)c3=O)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is QKQODUBEBUCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-10-8-13-14(9-11(10)2)21-18(20-13)16-17(23)12-6-4-5-7-15(12)22(3)19(16)24/h4-9,23H,1-3H3,(H,20,21).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135537301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).