2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole

C9H15BrN2O2S — CID 117191831

IUPAC2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole
SMILESCCn1cc(CS(=O)(=O)C(C)C)nc1Br
InChIInChI=1S/C9H15BrN2O2S/c1-4-12-5-8(11-9(12)10)6-15(13,14)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyCSYOOOCAPIUBQD-UHFFFAOYSA-N
MW295.20 g/mol
LogP1.99
Rot. Bonds4

About 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole

2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole (PubChem CID 117191831) has the molecular formula C9H15BrN2O2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole
PubChem CID117191831
Molecular FormulaC9H15BrN2O2S
Molecular Weight295.20 g/mol
Exact Mass294.00
IUPAC Name2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole
SMILESCCn1cc(CS(=O)(=O)C(C)C)nc1Br
InChIInChI=1S/C9H15BrN2O2S/c1-4-12-5-8(11-9(12)10)6-15(13,14)7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyCSYOOOCAPIUBQD-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)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

2,4-dibromo-1-ethylimidazole
CID 90043708
1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine
CID 117191827
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117185731
4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117187589
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612
1-ethyl-3-(propan-2-ylsulfonylmethyl)indole-4-carboxylic acid
CID 117172113
1-methyl-3-(propan-2-ylsulfonylmethyl)pyrazole-5-carboxylic acid
CID 117215953
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole?
The IUPAC name of 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole (CID 117191831) is 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole.
What is the SMILES notation for 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole?
The canonical SMILES for 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole is CCn1cc(CS(=O)(=O)C(C)C)nc1Br.
What is the InChIKey of 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole?
The InChIKey is CSYOOOCAPIUBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S/c1-4-12-5-8(11-9(12)10)6-15(13,14)7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole?
2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole has a molecular weight of 295.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole is sourced from PubChem (CID 117191831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).