1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole

C10H18N2S — CID 117193132

IUPAC1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
SMILESCCn1c(CSC(C)C)cnc1C
InChIInChI=1S/C10H18N2S/c1-5-12-9(4)11-6-10(12)7-13-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyBIIYPMVKKQDCGJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole

1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole (PubChem CID 117193132) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
PubChem CID117193132
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
SMILESCCn1c(CSC(C)C)cnc1C
InChIInChI=1S/C10H18N2S/c1-5-12-9(4)11-6-10(12)7-13-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyBIIYPMVKKQDCGJ-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole 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

1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131
5-(chloromethyl)-1-ethyl-2-methylimidazole
CID 130118504
(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
1-(3-ethyl-2-methylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192906
1-ethyl-5-(methoxymethyl)-2-methylimidazole
CID 117193127
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
1-propan-2-yl-5-(propan-2-ylsulfanylmethyl)imidazol-2-amine
CID 117193170
1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole
CID 117192023
1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
CID 117193137
2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
CID 158668941
6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
CID 117180808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole?
The IUPAC name of 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole (CID 117193132) is 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole is CCn1c(CSC(C)C)cnc1C.
What is the InChIKey of 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole?
The InChIKey is BIIYPMVKKQDCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-12-9(4)11-6-10(12)7-13-8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole?
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole has a molecular weight of 198.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole is sourced from PubChem (CID 117193132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).