2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole

C16H20N4S — CID 95399118

IUPAC2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2[C@H](C)Cc2ccsc2)c(C)[nH]1
InChIInChI=1S/C16H20N4S/c1-4-14-18-12(3)15(19-14)16-17-6-7-20(16)11(2)9-13-5-8-21-10-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyGXMAFZJXXLMBCR-LLVKDONJSA-N
MW300.43 g/mol
LogP4.01
Rot. Bonds5

About 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole

2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole (PubChem CID 95399118) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
PubChem CID95399118
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2[C@H](C)Cc2ccsc2)c(C)[nH]1
InChIInChI=1S/C16H20N4S/c1-4-14-18-12(3)15(19-14)16-17-6-7-20(16)11(2)9-13-5-8-21-10-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyGXMAFZJXXLMBCR-LLVKDONJSA-N
XLogP4.01
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole with MolForge

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Related Compounds

2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
CID 95476705
6-(1-methylimidazol-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)pyridazin-3-amine
CID 56756516
4-(1-thiophen-3-ylpropan-2-yl)-1H-1,2,4-triazole-5-thione
CID 61474669
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
CID 39818742
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
3-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]pyridine
CID 56874880
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole (CID 95399118) is 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole is CCc1nc(-c2nccn2[C@H](C)Cc2ccsc2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
The InChIKey is GXMAFZJXXLMBCR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4S/c1-4-14-18-12(3)15(19-14)16-17-6-7-20(16)11(2)9-13-5-8-21-10-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole?
2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole has a molecular weight of 300.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 95399118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).