3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

C12H14BrN3 — CID 103818303

IUPAC3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Br)c2C)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8-11(13)4-3-5-12(8)15-7-10-6-14-9(2)16-10/h3-6,15H,7H2,1-2H3,(H,14,16)
InChIKeySUHBIBWWVXIQED-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.40
Rot. Bonds3

About 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 103818303) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID103818303
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Br)c2C)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8-11(13)4-3-5-12(8)15-7-10-6-14-9(2)16-10/h3-6,15H,7H2,1-2H3,(H,14,16)
InChIKeySUHBIBWWVXIQED-UHFFFAOYSA-N
XLogP3.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-nitroaniline
CID 62744008
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 62742894
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62742136
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfonylaniline
CID 62742178
[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol
CID 146106531
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
3-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 107629774
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 103818303) is 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2cccc(Br)c2C)[nH]1.
What is the InChIKey of 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is SUHBIBWWVXIQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-11(13)4-3-5-12(8)15-7-10-6-14-9(2)16-10/h3-6,15H,7H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline has a molecular weight of 280.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 103818303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).