1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine

C12H14BrN3 — CID 102772106

IUPAC1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cn2ccnc2)c(Br)c1
InChIInChI=1S/C12H14BrN3/c1-14-7-10-2-3-11(12(13)6-10)8-16-5-4-15-9-16/h2-6,9,14H,7-8H2,1H3
InChIKeyZKKVWMPIIMDYDM-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.41
Rot. Bonds4

About 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine

1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 102772106) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID102772106
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cn2ccnc2)c(Br)c1
InChIInChI=1S/C12H14BrN3/c1-14-7-10-2-3-11(12(13)6-10)8-16-5-4-15-9-16/h2-6,9,14H,7-8H2,1H3
InChIKeyZKKVWMPIIMDYDM-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine 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-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
2-bromo-N-(2-imidazol-1-ylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106018081
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
1-[3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773751
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine (CID 102772106) is 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine is CNCc1ccc(Cn2ccnc2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is ZKKVWMPIIMDYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-14-7-10-2-3-11(12(13)6-10)8-16-5-4-15-9-16/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 102772106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).