(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine

C12H14BrN3 — CID 104942801

IUPAC(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9(14)12-6-15-8-16(12)7-10-3-2-4-11(13)5-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1
InChIKeyVXDLCWNGPYMNHU-VIFPVBQESA-N
MW280.17 g/mol
LogP2.71
Rot. Bonds3

About (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine

(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 104942801) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID104942801
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9(14)12-6-15-8-16(12)7-10-3-2-4-11(13)5-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1
InChIKeyVXDLCWNGPYMNHU-VIFPVBQESA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine 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

1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
(1R)-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942893
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 106898402
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine (CID 104942801) is (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1Cc1cccc(Br)c1.
What is the InChIKey of (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is VXDLCWNGPYMNHU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9(14)12-6-15-8-16(12)7-10-3-2-4-11(13)5-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).