ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole

C57H114N10 — CID 158144284

IUPACethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)c1cccn1C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1nccn1C
InChIInChI=1S/2C8H13N.4C7H12N2.6C2H6.CH4/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;6*1-2;/h2*4-7H,1-3H3;4*4-6H,1-3H3;6*1-2H3;1H4
InChIKeyFUHZNGLOBNFOPC-UHFFFAOYSA-N
MW939.61 g/mol
LogP17.26
Rot. Bonds6

About ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole

ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole (PubChem CID 158144284) has the molecular formula C57H114N10 and a molecular weight of 939.61 g/mol. Its IUPAC name is ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Nameethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole
PubChem CID158144284
Molecular FormulaC57H114N10
Molecular Weight939.61 g/mol
Exact Mass938.92
IUPAC Nameethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)c1cccn1C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1nccn1C
InChIInChI=1S/2C8H13N.4C7H12N2.6C2H6.CH4/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;6*1-2;/h2*4-7H,1-3H3;4*4-6H,1-3H3;6*1-2H3;1H4
InChIKeyFUHZNGLOBNFOPC-UHFFFAOYSA-N
XLogP17.26
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.61
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole with MolForge

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Related Compounds

Savolitinib
CID 68289010
Aeol-10150
CID 10373834
1-[(1R)-1-Imidazo[1,2-a]pyridin-6-ylethyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,3-triazolo[4,5-b]pyrazine
CID 68353989
1-[(1-Ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole
CID 138466005
2-Methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11221320
7-{[2-(3-fluoropyridin-2-yl)-1H-imidazol-1-yl]methyl}-8-propyl-2-pyrrolidin-1-yl[1,2,4]triazolo[1,5-c]pyrimidine
CID 11281211
US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53250043
2-[2-(1-Methyl-4-phenylimidazol-2-yl)ethyl]-6-(1-methylpyrazol-4-yl)pyridine
CID 165414965
1-Methyl-2-[3-methyl-2-(3-methylimidazol-4-yl)imidazol-4-yl]-5-(1-methyl-5-phenylimidazol-2-yl)imidazole
CID 145969348
1-[(1-Ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole
CID 166629760
US10906905, Example 12
CID 134439695
US10906905, Example 12-1
CID 134439801

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole?
The IUPAC name of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole (CID 158144284) is ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole.
What is the SMILES notation for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole?
The canonical SMILES for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole is C.CC.CC.CC.CC.CC.CC.CC(C)c1cccn1C.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1nccn1C.
What is the InChIKey of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole?
The InChIKey is FUHZNGLOBNFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.4C7H12N2.6C2H6.CH4/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;6*1-2;/h2*4-7H,1-3H3;4*4-6H,1-3H3;6*1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole?
ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole has a molecular weight of 939.61 g/mol, XLogP of 17.26, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 158144284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).