1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

C13H16BrN3 — CID 65172660

IUPAC1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-10-16-8-13(7-15-2)17(10)9-11-3-5-12(14)6-4-11/h3-6,8,15H,7,9H2,1-2H3
InChIKeyHIMNSRDZJIDWGP-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (PubChem CID 65172660) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
PubChem CID65172660
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-10-16-8-13(7-15-2)17(10)9-11-3-5-12(14)6-4-11/h3-6,8,15H,7,9H2,1-2H3
InChIKeyHIMNSRDZJIDWGP-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
1-[3-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172920
1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172508
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
N-methyl-1-(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173129
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65172235
N-[[3-[(5-bromo-2-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 104811802
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (CID 65172660) is 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is CNCc1cnc(C)n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is HIMNSRDZJIDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10-16-8-13(7-15-2)17(10)9-11-3-5-12(14)6-4-11/h3-6,8,15H,7,9H2,1-2H3.
What are the key properties of 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65172660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).