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

C12H14BrN3 — CID 62742136

IUPAC4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)c(C)c2)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8-5-10(3-4-12(8)13)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3,(H,14,16)
InChIKeyVVOMLSAYJTUCAH-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.40
Rot. Bonds3

About 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 62742136) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID62742136
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)c(C)c2)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8-5-10(3-4-12(8)13)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3,(H,14,16)
InChIKeyVVOMLSAYJTUCAH-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]-4-propan-2-yloxyaniline
CID 62743816
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
3-fluoro-4-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 55114838
2,2-difluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3-benzodioxol-5-amine
CID 62743237
N-[(2-methyl-1H-imidazol-5-yl)methyl]-9H-fluoren-2-amine
CID 62741958
3-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propoxyaniline
CID 55114654
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfonylaniline
CID 62742178
4-bromo-N-[(5-bromo-3-pyridinyl)methyl]-3-methylaniline
CID 104796643
4-bromo-2,6-difluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 65467186
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 62742136) is 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(Br)c(C)c2)[nH]1.
What is the InChIKey of 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is VVOMLSAYJTUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-5-10(3-4-12(8)13)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
4-bromo-3-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 4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 62742136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).