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

C10H10BrClN2OS — CID 84604616

IUPAC2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
SMILESCn1c(CCO)nc(-c2ccc(Cl)s2)c1Br
InChIInChI=1S/C10H10BrClN2OS/c1-14-8(4-5-15)13-9(10(14)11)6-2-3-7(12)16-6/h2-3,15H,4-5H2,1H3
InChIKeyFIABKYIAYIURID-UHFFFAOYSA-N
MW321.63 g/mol
LogP3.10
Rot. Bonds3

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

2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol (PubChem CID 84604616) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
PubChem CID84604616
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
SMILESCn1c(CCO)nc(-c2ccc(Cl)s2)c1Br
InChIInChI=1S/C10H10BrClN2OS/c1-14-8(4-5-15)13-9(10(14)11)6-2-3-7(12)16-6/h2-3,15H,4-5H2,1H3
InChIKeyFIABKYIAYIURID-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610127
2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083549
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
CID 84609648
N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492694
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
CID 116852005
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82293528

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol (CID 84604616) is 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol is Cn1c(CCO)nc(-c2ccc(Cl)s2)c1Br.
What is the InChIKey of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol?
The InChIKey is FIABKYIAYIURID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2OS/c1-14-8(4-5-15)13-9(10(14)11)6-2-3-7(12)16-6/h2-3,15H,4-5H2,1H3.
What are the key properties of 2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol?
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol has a molecular weight of 321.63 g/mol, XLogP of 3.10, 3 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]ethanol is sourced from PubChem (CID 84604616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).