2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine

C11H13BrClN3S — CID 84610127

IUPAC2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc(Cl)s2)c(Br)n1C
InChIInChI=1S/C11H13BrClN3S/c1-14-6-5-9-15-10(11(12)16(9)2)7-3-4-8(13)17-7/h3-4,14H,5-6H2,1-2H3
InChIKeyDZXRSVVSDCMSRD-UHFFFAOYSA-N
MW334.67 g/mol
LogP3.33
Rot. Bonds4

About 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine

2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine (PubChem CID 84610127) has the molecular formula C11H13BrClN3S and a molecular weight of 334.67 g/mol. Its IUPAC name is 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
PubChem CID84610127
Molecular FormulaC11H13BrClN3S
Molecular Weight334.67 g/mol
Exact Mass332.97
IUPAC Name2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc(Cl)s2)c(Br)n1C
InChIInChI=1S/C11H13BrClN3S/c1-14-6-5-9-15-10(11(12)16(9)2)7-3-4-8(13)17-7/h3-4,14H,5-6H2,1-2H3
InChIKeyDZXRSVVSDCMSRD-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine 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-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
CID 84604616
2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[4-(1,3-benzoxazol-6-yl)-5-bromo-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610372
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine
CID 84604354
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492694
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 84743721
2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84605029
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195
N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
CID 84622679
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine (CID 84610127) is 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2ccc(Cl)s2)c(Br)n1C.
What is the InChIKey of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine?
The InChIKey is DZXRSVVSDCMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3S/c1-14-6-5-9-15-10(11(12)16(9)2)7-3-4-8(13)17-7/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine?
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine has a molecular weight of 334.67 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84610127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).