3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

C187H259N45O22S2 — CID 158559313

IUPAC3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2nc(=O)n(C(C)C)n2cn1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2nc(=O)n(C(C)C)n2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncn2c(n1)nc(=O)n2C(C)C
InChIInChI=1S/C13H18N2O.C13H17NO2.C13H17NOS.2C12H17N3O.3C12H16N2O2.C12H16N2OS.4C11H16N4O.2C11H15N3O2.C10H15N5O/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-13-11(16)15(8(3)4)14(10)6-12-9;1-7(2)9-5-12-10-13-11(16)15(8(3)4)14(10)6-9;1-6(2)9-12-5-8-10(14-9)15(7(3)4)11(16)13-8;1-6(2)8-5-12-9-10(13-8)15(7(3)4)11(16)14-9;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)8-11-5-14-9(12-8)13-10(16)15(14)7(3)4/h5-9H,1-4H3,(H,14,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);6*5-8H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);3*5-7H,1-4H3
InChIKeyHQRKTFOQTYYBGB-UHFFFAOYSA-N
MW3553.56 g/mol
LogP38.21
Rot. Bonds32

About 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (PubChem CID 158559313) has the molecular formula C187H259N45O22S2 and a molecular weight of 3553.56 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID158559313
Molecular FormulaC187H259N45O22S2
Molecular Weight3553.56 g/mol
Exact Mass3551.00
IUPAC Name3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2nc(=O)n(C(C)C)n2cn1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2nc(=O)n(C(C)C)n2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncn2c(n1)nc(=O)n2C(C)C
InChIInChI=1S/C13H18N2O.C13H17NO2.C13H17NOS.2C12H17N3O.3C12H16N2O2.C12H16N2OS.4C11H16N4O.2C11H15N3O2.C10H15N5O/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-13-11(16)15(8(3)4)14(10)6-12-9;1-7(2)9-5-12-10-13-11(16)15(8(3)4)14(10)6-9;1-6(2)9-12-5-8-10(14-9)15(7(3)4)11(16)13-8;1-6(2)8-5-12-9-10(13-8)15(7(3)4)11(16)14-9;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)8-11-5-14-9(12-8)13-10(16)15(14)7(3)4/h5-9H,1-4H3,(H,14,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);6*5-8H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);3*5-7H,1-4H3
InChIKeyHQRKTFOQTYYBGB-UHFFFAOYSA-N
XLogP38.21
TPSA793.71 Ų
H-Bond Donors5
H-Bond Acceptors64
Rotatable Bonds32
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003553.56
LogP ≤ 538.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1064

Analyze 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 157376062
1,6-di(propan-2-yl)benzimidazole;3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)imidazo[4,5-b]pyrazine;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)imidazo[4,5-b]pyridine;3,5-di(propan-2-yl)imidazo[4,5-b]pyridine;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;2,9-di(propan-2-yl)purine;2,9-di(propan-2-yl)-7H-purin-8-one
CID 158182486
1,6-di(propan-2-yl)benzimidazole;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;1,7-di(propan-2-yl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-one;3,5-di(propan-2-yl)imidazo[4,5-b]pyridine;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;2,9-di(propan-2-yl)purine;1,7-di(propan-2-yl)quinoxalin-2-one
CID 159201256
1,6-di(propan-2-yl)benzimidazole;1,7-di(propan-2-yl)-3,4-dihydroquinazolin-2-one;3,5-di(propan-2-yl)imidazo[4,5-b]pyridine;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2,9-di(propan-2-yl)purine;1,7-di(propan-2-yl)quinoxalin-2-one;methane
CID 159303626
CID 159574234
CID 159574234
CID 160304036
CID 160304036
CID 160331796
CID 160331796
(2E)-5-tert-butyl-2-(5-tert-butyl-3-pyridin-3-yl-1,3-benzothiazol-2-ylidene)-3-pyridin-3-yl-1,3-benzothiazole;(2E)-5-tert-butyl-2-(5-tert-butyl-3-pyridin-3-yl-1,3-benzoxazol-2-ylidene)-3-pyridin-3-yl-1,3-benzoxazole;(2E)-3-(6-tert-butylpyrazin-2-yl)-2-[3-(6-tert-butylpyrazin-2-yl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole;(2E)-3-(2,6-ditert-butyl-4-pyridinyl)-2-[3-(2,6-ditert-butyl-4-pyridinyl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole;(2E)-2-(5,6-dimethyl-3-pyridin-2-yl-1,3-benzoxazol-2-ylidene)-5,6-dimethyl-3-pyridin-2-yl-1,3-benzoxazole
CID 161943588
CID 162105048
CID 162105048

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The IUPAC name of 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 158559313) is 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.
What is the SMILES notation for 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The canonical SMILES for 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2nc(=O)n(C(C)C)n2cn1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2nc(=O)n(C(C)C)n2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncn2c(n1)nc(=O)n2C(C)C.
What is the InChIKey of 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The InChIKey is HQRKTFOQTYYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H17NO2.C13H17NOS.2C12H17N3O.3C12H16N2O2.C12H16N2OS.4C11H16N4O.2C11H15N3O2.C10H15N5O/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-13-11(16)15(8(3)4)14(10)6-12-9;1-7(2)9-5-12-10-13-11(16)15(8(3)4)14(10)6-9;1-6(2)9-12-5-8-10(14-9)15(7(3)4)11(16)13-8;1-6(2)8-5-12-9-10(13-8)15(7(3)4)11(16)14-9;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)8-11-5-14-9(12-8)13-10(16)15(14)7(3)4/h5-9H,1-4H3,(H,14,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);6*5-8H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);3*5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one has a molecular weight of 3553.56 g/mol, XLogP of 38.21, 32 rotatable bonds, 5 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1H-benzimidazol-2-one;3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;2,9-di(propan-2-yl)-7H-purin-8-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-one;1,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one;3,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is sourced from PubChem (CID 158559313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).