1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one

C70H100N12O6 — CID 159125862

IUPAC1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1ccc(C(=O)O)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cccnc1C(C)C
InChIInChI=1S/2C9H11NO2.C9H13N.2C8H11NO.C8H11N.C7H12N2.2C6H10N2/c1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(10)3-4-9-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6,10H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyKGGNKTNGTLFKKC-UHFFFAOYSA-N
MW1205.65 g/mol
LogP16.54
Rot. Bonds11

About 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one

1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one (PubChem CID 159125862) has the molecular formula C70H100N12O6 and a molecular weight of 1205.65 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one
PubChem CID159125862
Molecular FormulaC70H100N12O6
Molecular Weight1205.65 g/mol
Exact Mass1204.79
IUPAC Name1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1ccc(C(=O)O)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cccnc1C(C)C
InChIInChI=1S/2C9H11NO2.C9H13N.2C8H11NO.C8H11N.C7H12N2.2C6H10N2/c1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(10)3-4-9-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6,10H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyKGGNKTNGTLFKKC-UHFFFAOYSA-N
XLogP16.54
TPSA267.32 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001205.65
LogP ≤ 516.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-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-(2-propan-2-ylimidazol-1-yl)pyridine-4-carboxylic acid
CID 28560964
methane;2-methyl-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyridin-1-ium;4-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid
CID 161220879
2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
CID 82770584
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
CID 159092633
3-fluoro-4-[1-(1-methylimidazol-2-yl)ethoxy]benzoic acid
CID 117096768
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole
CID 163431706
6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 19864555
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805
1H-imidazol-2-yl(pyridin-2-yl)methanol
CID 75511261
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
CID 110473236

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one (CID 159125862) is 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one is CC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1ccc(C(=O)O)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.Cc1cccnc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one?
The InChIKey is KGGNKTNGTLFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO2.C9H13N.2C8H11NO.C8H11N.C7H12N2.2C6H10N2/c1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(10)3-4-9-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6,10H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one?
1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one has a molecular weight of 1205.65 g/mol, XLogP of 16.54, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 159125862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).