3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C63H59N13O4 — CID 158604466

IUPAC3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C23H20N4O.C22H20N4O2.C18H19N5O/c1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-11H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);6-8H,1-5H3,(H,20,21)
InChIKeyHWASUPZFKNEIMK-UHFFFAOYSA-N
MW1062.25 g/mol
LogP14.21
Rot. Bonds6

About 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158604466) has the molecular formula C63H59N13O4 and a molecular weight of 1062.25 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158604466
Molecular FormulaC63H59N13O4
Molecular Weight1062.25 g/mol
Exact Mass1061.48
IUPAC Name3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C23H20N4O.C22H20N4O2.C18H19N5O/c1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-11H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);6-8H,1-5H3,(H,20,21)
InChIKeyHWASUPZFKNEIMK-UHFFFAOYSA-N
XLogP14.21
TPSA223.94 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.25
LogP ≤ 514.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
3,5-dimethyl-4-(4-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-1H-benzo[d]imidazol-6-yl)isoxazole
CID 86282422
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 86282555
4-[2-cyclopropyl-7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689344
4-(2-methoxy-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689440
US20240025884, Example 444
CID 170673079
3,5-dimethyl-4-[7-quinolin-5-yl-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 117689562
4-[7-(2,4-dimethylpyrazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689606
3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121292997
4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 121442923
N-[22-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)-1H-benzimidazol-4-yl]quinolin-2-yl]-3-methyl-4-oxa-5,13,20,22-tetrazahexacyclo[16.6.1.17,11.02,6.012,17.019,23]hexacosa-1(25),2,5,7,9,11(26),12(17),13,15,18,20,23-dodecaen-21-yl]cyclopropanesulfonamide
CID 134571789
1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139543540

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158604466) is 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HWASUPZFKNEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O.C22H20N4O2.C18H19N5O/c1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-11H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);6-8H,1-5H3,(H,20,21).
What are the key properties of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1062.25 g/mol, XLogP of 14.21, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158604466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).