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

C88H122N18O5 — CID 159201256

IUPAC1,6-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
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(n1)N(C(C)C)C(=O)NC2.CC(C)c1ccc2ncc(=O)n(C(C)C)c2c1.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)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C14H18N2O.C13H19N3O.C13H18N2.C13H17NO2.C12H17N3O.C12H17N3.C11H16N4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;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)10-5-6-11-12(14-10)15(7-13-11)9(3)4;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3,(H,14,17);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3
InChIKeyKPIAAJYLPNPIRF-UHFFFAOYSA-N
MW1512.06 g/mol
LogP20.88
Rot. Bonds14

About 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

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 (PubChem CID 159201256) has the molecular formula C88H122N18O5 and a molecular weight of 1512.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6-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
PubChem CID159201256
Molecular FormulaC88H122N18O5
Molecular Weight1512.06 g/mol
Exact Mass1510.98
IUPAC Name1,6-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
SMILESCC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(n1)N(C(C)C)C(=O)NC2.CC(C)c1ccc2ncc(=O)n(C(C)C)c2c1.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)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C14H18N2O.C13H19N3O.C13H18N2.C13H17NO2.C12H17N3O.C12H17N3.C11H16N4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;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)10-5-6-11-12(14-10)15(7-13-11)9(3)4;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3,(H,14,17);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3
InChIKeyKPIAAJYLPNPIRF-UHFFFAOYSA-N
XLogP20.88
TPSA258.07 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.06
LogP ≤ 520.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

N-[5-[4-amino-7-[2-[2-[4-[4-amino-6-(2-ethynylquinoxalin-6-yl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenoxy]pyrimidin-4-yl]ethyl]-5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]-2-methylprop-2-enamide
CID 155309556
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
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
CID 159343185
CID 159343185
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
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-(pyridin-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 160291616
CID 161256614
CID 161256614
CID 162198152
CID 162198152
N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine
CID 165097964
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-ethyl-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;3-ethyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-benzimidazol-2-one
CID 87454049

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(n1)N(C(C)C)C(=O)NC2.CC(C)c1ccc2ncc(=O)n(C(C)C)c2c1.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)c1ncc2ncn(C(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is KPIAAJYLPNPIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H19N3O.C13H18N2.C13H17NO2.C12H17N3O.C12H17N3.C11H16N4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-8(2)11-6-5-10-7-14-13(17)16(9(3)4)12(10)15-11;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)10-5-6-11-12(14-10)15(7-13-11)9(3)4;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3,(H,14,17);5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1512.06 g/mol, XLogP of 20.88, 14 rotatable bonds, 2 hydrogen bond donors, and 20 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)-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 is sourced from PubChem (CID 159201256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).