methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

C115H202N32O3S — CID 159242233

IUPACmethane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESC.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1cccn1
InChIInChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.7C6H10N2.C6H9NO.C6H9NS.2C5H9N3.7CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;3*1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);7*1H4
InChIKeyKUFVUJWRLIYHLL-UHFFFAOYSA-N
MW2113.17 g/mol
LogP29.56
Rot. Bonds18

About methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (PubChem CID 159242233) has the molecular formula C115H202N32O3S and a molecular weight of 2113.17 g/mol. Its IUPAC name is methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole).

Molecular Properties

Compound Namemethane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
PubChem CID159242233
Molecular FormulaC115H202N32O3S
Molecular Weight2113.17 g/mol
Exact Mass2111.64
IUPAC Namemethane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESC.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1cccn1
InChIInChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.7C6H10N2.C6H9NO.C6H9NS.2C5H9N3.7CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;3*1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);7*1H4
InChIKeyKUFVUJWRLIYHLL-UHFFFAOYSA-N
XLogP29.56
TPSA465.17 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002113.17
LogP ≤ 529.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) with MolForge

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Launch Full Analysis

Related Compounds

CID 161609016
CID 161609016
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050940
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-5-(5-thiophen-2-yl-2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
CID 141050956
2-[5-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(1,3-thiazolidin-2-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-3-yl]-1,3-oxazole
CID 141054325
2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
CID 141088035
2-[2-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-4-(1H-imidazol-2-yl)-1-pyrazin-2-yl-9-(1H-pyrazol-5-yl)-6-pyridazin-3-yl-3-pyrimidin-2-ylpurin-2-yl]-1,3-oxazole
CID 141157870
2-[6-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-2-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-4-yl]-1,3-oxazole
CID 141192924
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515

Frequently Asked Questions

What is the IUPAC name of methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The IUPAC name of methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (CID 159242233) is methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole).
What is the SMILES notation for methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The canonical SMILES for methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is C.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1cccn1.
What is the InChIKey of methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The InChIKey is KUFVUJWRLIYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.7C6H10N2.C6H9NO.C6H9NS.2C5H9N3.7CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;3*1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);7*1H4.
What are the key properties of methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) has a molecular weight of 2113.17 g/mol, XLogP of 29.56, 18 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is sourced from PubChem (CID 159242233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).