5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C94H91N17O6 — CID 159042659

IUPAC5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1ncc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1noc(C)c1-c1cc(-c2ccc3c(c2)C(=O)CC32CC2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C26H23N3O2.C25H24N4O2.C22H23N5O.C21H21N5O/c1-13-23(14(2)31-29-13)17-10-18(24-21(11-17)27-25(28-24)15-3-4-15)16-5-6-20-19(9-16)22(30)12-26(20)7-8-26;1-13-23(14(2)31-28-13)16-11-19(24-20(12-16)26-25(27-24)15-7-8-15)17-5-4-6-21-18(17)9-10-22(30)29(21)3;1-10-19(11(2)24-14(5)23-10)17-8-16(20-12(3)27-28-13(20)4)9-18-21(17)26-22(25-18)15-6-7-15;1-10-17(9-22-13(4)23-10)16-7-15(19-11(2)26-27-12(19)3)8-18-20(16)25-21(24-18)14-5-6-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,27,28);4-6,11-12,15H,7-10H2,1-3H3,(H,26,27);8-9,15H,6-7H2,1-5H3,(H,25,26);7-9,14H,5-6H2,1-4H3,(H,24,25)
InChIKeyJWGLLDXIXYPWSV-UHFFFAOYSA-N
MW1554.87 g/mol
LogP21.17
Rot. Bonds12

About 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159042659) has the molecular formula C94H91N17O6 and a molecular weight of 1554.87 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159042659
Molecular FormulaC94H91N17O6
Molecular Weight1554.87 g/mol
Exact Mass1553.73
IUPAC Name5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1ncc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1noc(C)c1-c1cc(-c2ccc3c(c2)C(=O)CC32CC2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C26H23N3O2.C25H24N4O2.C22H23N5O.C21H21N5O/c1-13-23(14(2)31-29-13)17-10-18(24-21(11-17)27-25(28-24)15-3-4-15)16-5-6-20-19(9-16)22(30)12-26(20)7-8-26;1-13-23(14(2)31-28-13)16-11-19(24-20(12-16)26-25(27-24)15-7-8-15)17-5-4-6-21-18(17)9-10-22(30)29(21)3;1-10-19(11(2)24-14(5)23-10)17-8-16(20-12(3)27-28-13(20)4)9-18-21(17)26-22(25-18)15-6-7-15;1-10-17(9-22-13(4)23-10)16-7-15(19-11(2)26-27-12(19)3)8-18-20(16)25-21(24-18)14-5-6-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,27,28);4-6,11-12,15H,7-10H2,1-3H3,(H,26,27);8-9,15H,6-7H2,1-5H3,(H,25,26);7-9,14H,5-6H2,1-4H3,(H,24,25)
InChIKeyJWGLLDXIXYPWSV-UHFFFAOYSA-N
XLogP21.17
TPSA307.78 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.87
LogP ≤ 521.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 159042659) is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1ncc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1noc(C)c1-c1cc(-c2ccc3c(c2)C(=O)CC32CC2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3C)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is JWGLLDXIXYPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C25H24N4O2.C22H23N5O.C21H21N5O/c1-13-23(14(2)31-29-13)17-10-18(24-21(11-17)27-25(28-24)15-3-4-15)16-5-6-20-19(9-16)22(30)12-26(20)7-8-26;1-13-23(14(2)31-28-13)16-11-19(24-20(12-16)26-25(27-24)15-7-8-15)17-5-4-6-21-18(17)9-10-22(30)29(21)3;1-10-19(11(2)24-14(5)23-10)17-8-16(20-12(3)27-28-13(20)4)9-18-21(17)26-22(25-18)15-6-7-15;1-10-17(9-22-13(4)23-10)16-7-15(19-11(2)26-27-12(19)3)8-18-20(16)25-21(24-18)14-5-6-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,27,28);4-6,11-12,15H,7-10H2,1-3H3,(H,26,27);8-9,15H,6-7H2,1-5H3,(H,25,26);7-9,14H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1554.87 g/mol, XLogP of 21.17, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159042659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).