N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine

C7H12BrN3 — CID 117187425

IUPACN-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(Br)cn1C
InChIInChI=1S/C7H12BrN3/c1-3-9-4-7-10-6(8)5-11(7)2/h5,9H,3-4H2,1-2H3
InChIKeyHHPLXTNWRXHWGS-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.29
Rot. Bonds3

About N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine

N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 117187425) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID117187425
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC NameN-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(Br)cn1C
InChIInChI=1S/C7H12BrN3/c1-3-9-4-7-10-6(8)5-11(7)2/h5,9H,3-4H2,1-2H3
InChIKeyHHPLXTNWRXHWGS-UHFFFAOYSA-N
XLogP1.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-1-methylimidazole-4-carboxylic acid
CID 117187445
(4-bromo-1-methylimidazol-2-yl)methanethiol
CID 117187457
N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
CID 117187124
2-(4-bromo-1-methylimidazol-2-yl)acetic acid
CID 175221761
1-(1,4-dimethylimidazol-2-yl)-N-[(1,4-dimethylimidazol-2-yl)methyl]methanamine
CID 130303673
4-bromo-N,N-diethyl-1-methylimidazol-2-amine
CID 172992482
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
N-[(6-bromopyridazin-3-yl)methyl]ethanamine
CID 163383302
N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
CID 71476444
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
4-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 165438711

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine (CID 117187425) is N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine is CCNCc1nc(Br)cn1C.
What is the InChIKey of N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is HHPLXTNWRXHWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-3-9-4-7-10-6(8)5-11(7)2/h5,9H,3-4H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine?
N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 218.10 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 117187425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).