2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine

C10H11BrClN3S — CID 84604354

IUPAC2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc(Br)s2)c(Cl)[nH]1
InChIInChI=1S/C10H11BrClN3S/c1-13-5-4-8-14-9(10(12)15-8)6-2-3-7(11)16-6/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyNATRNUFLWBUTBO-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine

2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 84604354) has the molecular formula C10H11BrClN3S and a molecular weight of 320.64 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID84604354
Molecular FormulaC10H11BrClN3S
Molecular Weight320.64 g/mol
Exact Mass318.95
IUPAC Name2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc(Br)s2)c(Cl)[nH]1
InChIInChI=1S/C10H11BrClN3S/c1-13-5-4-8-14-9(10(12)15-8)6-2-3-7(11)16-6/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyNATRNUFLWBUTBO-UHFFFAOYSA-N
XLogP3.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 82488404
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610127
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
CID 84610361
7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
CID 136705321
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81173545
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine (CID 84604354) is 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2ccc(Br)s2)c(Cl)[nH]1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is NATRNUFLWBUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3S/c1-13-5-4-8-14-9(10(12)15-8)6-2-3-7(11)16-6/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine?
2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 320.64 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-5-chloro-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84604354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).