1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene

C155H265N15O3S3 — CID 158903288

IUPAC1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2.3C7H11N.C7H10O.C7H10S.6CH4/c1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-6(2)8-5-9-7(3)10(8)4;1-7(2)9-5-4-8(3)6-9;3*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;;;;;;/h5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;6*1H4
InChIKeyJFSIIJZMHZGAEE-UHFFFAOYSA-N
MW2483.13 g/mol
LogP51.66
Rot. Bonds24

About 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene

1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene (PubChem CID 158903288) has the molecular formula C155H265N15O3S3 and a molecular weight of 2483.13 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene
PubChem CID158903288
Molecular FormulaC155H265N15O3S3
Molecular Weight2483.13 g/mol
Exact Mass2481.02
IUPAC Name1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2.3C7H11N.C7H10O.C7H10S.6CH4/c1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-6(2)8-5-9-7(3)10(8)4;1-7(2)9-5-4-8(3)6-9;3*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;;;;;;/h5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;6*1H4
InChIKeyJFSIIJZMHZGAEE-UHFFFAOYSA-N
XLogP51.66
TPSA198.98 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.13
LogP ≤ 551.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene?
The IUPAC name of 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene (CID 158903288) is 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene?
The canonical SMILES for 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene is C.C.C.C.C.C.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene?
The InChIKey is JFSIIJZMHZGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2.3C7H11N.C7H10O.C7H10S.6CH4/c1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-6(2)8-5-9-7(3)10(8)4;1-7(2)9-5-4-8(3)6-9;3*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;;;;;;/h5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;6*1H4.
What are the key properties of 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene?
1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene has a molecular weight of 2483.13 g/mol, XLogP of 51.66, 24 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene is sourced from PubChem (CID 158903288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).