2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine

C11H14BrN3S — CID 79985411

IUPAC2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(Cc2cc(Br)cs2)cn1
InChIInChI=1S/C11H14BrN3S/c1-13-3-2-10-5-15(8-14-10)6-11-4-9(12)7-16-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyVKRICWUQPJQKEC-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine

2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 79985411) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
PubChem CID79985411
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(Cc2cc(Br)cs2)cn1
InChIInChI=1S/C11H14BrN3S/c1-13-3-2-10-5-15(8-14-10)6-11-4-9(12)7-16-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyVKRICWUQPJQKEC-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
CID 106717530
2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
CID 113455792
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103014178
N-methyl-2-[1-(2-propan-2-yloxyethyl)imidazol-4-yl]ethanamine
CID 79985732
N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 112651274
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
N-methyl-2-[1-(naphthalen-1-ylmethyl)imidazol-4-yl]ethanamine
CID 79985728
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine
CID 79985482
N-[2-[1-[(3-bromothiophen-2-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79984951

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine (CID 79985411) is 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is CNCCc1cn(Cc2cc(Br)cs2)cn1.
What is the InChIKey of 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The InChIKey is VKRICWUQPJQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-13-3-2-10-5-15(8-14-10)6-11-4-9(12)7-16-11/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine?
2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 300.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79985411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).