1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole

C115H192N22S4 — CID 164948120

IUPAC1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole
SMILESCC(C)c1cccs1.CC(C)c1nccn1C.CC(C)n1ccnc1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)n1C.Cc1cncn1C(C)C.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C(C)C)c1C.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C
InChIInChI=1S/2C9H16N2.4C8H14N2.3C8H12S.4C7H12N2.C7H10S.C6H10N2/c1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-9-7(3)8(10)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)9-5-4-8-7(9)3;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6H,1-5H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);7*4-6H,1-3H3;2*3-6H,1-2H3
InChIKeyADTAIQOJAZBDDV-UHFFFAOYSA-N
MW2011.22 g/mol
LogP33.22
Rot. Bonds15

About 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole

1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole (PubChem CID 164948120) has the molecular formula C115H192N22S4 and a molecular weight of 2011.22 g/mol. Its IUPAC name is 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole
PubChem CID164948120
Molecular FormulaC115H192N22S4
Molecular Weight2011.22 g/mol
Exact Mass2009.46
IUPAC Name1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole
SMILESCC(C)c1cccs1.CC(C)c1nccn1C.CC(C)n1ccnc1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)n1C.Cc1cncn1C(C)C.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C(C)C)c1C.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C
InChIInChI=1S/2C9H16N2.4C8H14N2.3C8H12S.4C7H12N2.C7H10S.C6H10N2/c1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-9-7(3)8(10)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)9-5-4-8-7(9)3;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6H,1-5H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);7*4-6H,1-3H3;2*3-6H,1-2H3
InChIKeyADTAIQOJAZBDDV-UHFFFAOYSA-N
XLogP33.22
TPSA206.88 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.22
LogP ≤ 533.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole with MolForge

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Related Compounds

1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
CID 163475933
4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 157281977
(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 95293239
1,4-dimethyl-2-propan-2-ylpiperazine;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-2-propan-2-ylpiperidine);1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-ylimidazole;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1H-pyrazin-2-one;5-propan-2-yl-1H-pyrazin-2-one;6-propan-2-yl-1H-pyrazin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161372680
1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 62133640
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
[(1-methylimidazol-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105258082
4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719474
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole?
The IUPAC name of 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole (CID 164948120) is 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole.
What is the SMILES notation for 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole?
The canonical SMILES for 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole is CC(C)c1cccs1.CC(C)c1nccn1C.CC(C)n1ccnc1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)n1C.Cc1cncn1C(C)C.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C(C)C)c1C.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C.
What is the InChIKey of 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole?
The InChIKey is ADTAIQOJAZBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2.4C8H14N2.3C8H12S.4C7H12N2.C7H10S.C6H10N2/c1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-9-7(3)8(10)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)7-8-4-5-9(7)3;1-6(2)9-5-4-8-7(9)3;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6H,1-5H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);7*4-6H,1-3H3;2*3-6H,1-2H3.
What are the key properties of 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole?
1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole has a molecular weight of 2011.22 g/mol, XLogP of 33.22, 15 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole is sourced from PubChem (CID 164948120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).