1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one

C15H26N2OS — CID 78802553

IUPAC1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
SMILESCc1nc(SCC(=O)C(C)(C)C)n(CC(C)C)c1C
InChIInChI=1S/C15H26N2OS/c1-10(2)8-17-12(4)11(3)16-14(17)19-9-13(18)15(5,6)7/h10H,8-9H2,1-7H3
InChIKeyIYEACVFJQZYZGL-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.86
Rot. Bonds5

About 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one

1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one (PubChem CID 78802553) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
PubChem CID78802553
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
SMILESCc1nc(SCC(=O)C(C)(C)C)n(CC(C)C)c1C
InChIInChI=1S/C15H26N2OS/c1-10(2)8-17-12(4)11(3)16-14(17)19-9-13(18)15(5,6)7/h10H,8-9H2,1-7H3
InChIKeyIYEACVFJQZYZGL-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36634549
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51283315
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
N-[1-(4-chlorophenyl)ethyl]-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 112842751
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29486546
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 40661450
2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole
CID 78828004
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51073014
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17481207
N-(2-cyanophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
CID 7524703
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 40742538
3-(N-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 33014659

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one (CID 78802553) is 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is Cc1nc(SCC(=O)C(C)(C)C)n(CC(C)C)c1C.
What is the InChIKey of 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The InChIKey is IYEACVFJQZYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-10(2)8-17-12(4)11(3)16-14(17)19-9-13(18)15(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one has a molecular weight of 282.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is sourced from PubChem (CID 78802553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).