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

C90H130N18O5 — CID 159303626

IUPAC1,6-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
SMILESC.C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)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)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C14H18N2O.C14H20N2O.C13H18N2.C12H17N3O.C12H17N3.C12H16N2O2.C11H16N4.2CH4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;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)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;;/h5-10H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,17);5-10H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4
InChIKeyLBQGHABRRGEYNK-UHFFFAOYSA-N
MW1544.15 g/mol
LogP22.15
Rot. Bonds14

About 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

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 (PubChem CID 159303626) has the molecular formula C90H130N18O5 and a molecular weight of 1544.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6-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
PubChem CID159303626
Molecular FormulaC90H130N18O5
Molecular Weight1544.15 g/mol
Exact Mass1543.05
IUPAC Name1,6-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
SMILESC.C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)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)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1
InChIInChI=1S/C14H18N2O.C14H20N2O.C13H18N2.C12H17N3O.C12H17N3.C12H16N2O2.C11H16N4.2CH4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;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)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;;/h5-10H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,17);5-10H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4
InChIKeyLBQGHABRRGEYNK-UHFFFAOYSA-N
XLogP22.15
TPSA258.07 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.15
LogP ≤ 522.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 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 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

tert-butyl N-[6-fluoro-4-[(1R,5S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate
CID 68310957
tert-butyl N-[6-fluoro-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate
CID 77475188
4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate
CID 160939784
N-[4-(difluoromethoxy)phenyl]-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrazin-2-amine
CID 161420552
N-[4-(difluoromethoxy)phenyl]-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrazin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
CID 161498600
CID 162198152
CID 162198152
3-[2,6-Bis(2-methylpropyl)phenyl]-9-methoxy-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;3-[2,6-bis(2-methylpropyl)phenyl]-11-methoxy-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;9-(1,9-dimethylcarbazol-2-yl)-1-methylpyrido[2,3-b]indol-1-ium;6,7-dimethyl-5-(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole;13-methoxy-9,12-dimethyl-2,17,24-triaza-9-azoniahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11(16),12,14,18,20,22-undecaene
CID 157052364
4-[3-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[5-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methyl-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;bis(4-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene)
CID 157210186
5-fluoro-7-methyl-3-(4-methylcyclohexyl)-1H-benzimidazol-2-one;3-fluoro-3-methyl-1-(4-methylcyclohexyl)indol-2-one;3-(4-methylcyclohexyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;2-(4-methylcyclohexyl)-5-phenyl-1,3,4-oxadiazole;9-(4-methylcyclohexyl)-7H-purin-8-one;5-(4-methylcyclohexyl)-3-pyrimidin-2-yl-1H-pyridin-2-one;bis(6-methyl-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridin-2-one)
CID 157234378
2-(5-methoxy-3-pyridinyl)-4-propan-2-ylpyridine;1-methyl-5-(6-propan-2-ylpyrazin-2-yl)indazole;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-5-(5-propan-2-yl-3-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-(4-propan-2-ylpyrimidin-2-yl)indazole;1-methyl-5-(6-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-pyrimidin-2-one;4-propan-2-yl-2-[3-(4H-triazol-5-yl)phenyl]pyridine
CID 157235746
CID 157309674
CID 157309674
CID 157349129
CID 157349129

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)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)c2n1.CC(C)c1ncc2ncn(C(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is LBQGHABRRGEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H20N2O.C13H18N2.C12H17N3O.C12H17N3.C12H16N2O2.C11H16N4.2CH4/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12;1-9(2)11-5-6-12-8-15-14(17)16(10(3)4)13(12)7-11;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;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)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)10-12-5-9-11(14-10)15(6-13-9)8(3)4;;/h5-10H,1-4H3;5-7,9-10H,8H2,1-4H3,(H,15,17);5-10H,1-4H3;5-8H,1-4H3,(H,14,16);5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 1544.15 g/mol, XLogP of 22.15, 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;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 is sourced from PubChem (CID 159303626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).