N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H16BrN3O — CID 120970233

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(Br)c(CNC2=NCCN2C)c1
InChIInChI=1S/C12H16BrN3O/c1-16-6-5-14-12(16)15-8-9-7-10(17-2)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyDQJOJXDCICUNRB-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.85
Rot. Bonds3

About N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970233) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970233
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(Br)c(CNC2=NCCN2C)c1
InChIInChI=1S/C12H16BrN3O/c1-16-6-5-14-12(16)15-8-9-7-10(17-2)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyDQJOJXDCICUNRB-UHFFFAOYSA-N
XLogP1.85
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800
N-[(2-bromo-5-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112857
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969728
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097052
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 103827943
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970233) is N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1ccc(Br)c(CNC2=NCCN2C)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DQJOJXDCICUNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-16-6-5-14-12(16)15-8-9-7-10(17-2)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 298.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).