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

C119H168N30O6 — CID 158182486

IUPAC1,6-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
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2ncn(C(C)C)c2c1.CC(C)c1cnc2ncn(C(C)C)c2n1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C13H18N2O.C13H18N2.C13H17NO2.C12H17N3O.2C12H17N3.2C11H16N4O.2C11H16N4/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-8(2)10-5-11-12(13-6-10)14-7-15(11)9(3)4;1-8(2)10-5-6-11-12(14-10)15(7-13-11)9(3)4;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;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;1-7(2)9-5-12-10-11(14-9)15(6-13-10)8(3)4/h5-9H,1-4H3,(H,14,16);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);2*5-9H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);2*5-8H,1-4H3
InChIKeyFYTLQSHLBIEGPH-UHFFFAOYSA-N
MW2114.86 g/mol
LogP27.48
Rot. Bonds20

About 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

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 (PubChem CID 158182486) has the molecular formula C119H168N30O6 and a molecular weight of 2114.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6-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
PubChem CID158182486
Molecular FormulaC119H168N30O6
Molecular Weight2114.86 g/mol
Exact Mass2113.38
IUPAC Name1,6-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
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2ncn(C(C)C)c2c1.CC(C)c1cnc2ncn(C(C)C)c2n1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C13H18N2O.C13H18N2.C13H17NO2.C12H17N3O.2C12H17N3.2C11H16N4O.2C11H16N4/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-8(2)10-5-11-12(13-6-10)14-7-15(11)9(3)4;1-8(2)10-5-6-11-12(14-10)15(7-13-11)9(3)4;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;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;1-7(2)9-5-12-10-11(14-9)15(6-13-10)8(3)4/h5-9H,1-4H3,(H,14,16);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);2*5-9H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);2*5-8H,1-4H3
InChIKeyFYTLQSHLBIEGPH-UHFFFAOYSA-N
XLogP27.48
TPSA417.19 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.86
LogP ≤ 527.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzimidazol-1-yl)-7-[(4S)-4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-9-[(4S)-5,6-difluoro-3,4-dihydro-2H-chromen-4-yl]purin-8-one
CID 143306727
5-[4-[4-[2-[6-(2-ethynyl-3H-benzimidazol-5-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-methylpyrrolo[2,3-d]pyrimidin-7-yl]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]-6-(6-ethynyl-4,5-dimethyl-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155310003
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
1-ethyl-2-methylidene-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;1-(pyrimidin-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 157883261
5-[4-(Difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158366975
3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158545314
CID 159343185
CID 159343185
2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 159869831
1-Benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
CID 159990457
(1S,5R)-N-[[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]methyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;[3-[4-(1,1-difluoroethyl)phenoxy]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[3-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[(3S)-3-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 160124193

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2c1.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2n1.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1cnc2ncn(C(C)C)c2c1.CC(C)c1cnc2ncn(C(C)C)c2n1.CC(C)c1ncc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is FYTLQSHLBIEGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H18N2.C13H17NO2.C12H17N3O.2C12H17N3.2C11H16N4O.2C11H16N4/c1-8(2)10-5-6-11-12(7-10)15(9(3)4)13(16)14-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-8(2)10-5-11-12(13-6-10)14-7-15(11)9(3)4;1-8(2)10-5-6-11-12(14-10)15(7-13-11)9(3)4;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;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;1-7(2)9-5-12-10-11(14-9)15(6-13-10)8(3)4/h5-9H,1-4H3,(H,14,16);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);2*5-9H,1-4H3;5-7H,1-4H3,(H,13,16);5-7H,1-4H3,(H,12,14,16);2*5-8H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2114.86 g/mol, XLogP of 27.48, 20 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158182486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).