1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

C14H18BrN3O — CID 106721100

IUPAC1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(Br)c(Cn2cnc(CC(C)N)c2)c1
InChIInChI=1S/C14H18BrN3O/c1-10(16)5-12-8-18(9-17-12)7-11-6-13(19-2)3-4-14(11)15/h3-4,6,8-10H,5,7,16H2,1-2H3
InChIKeyQARWMTINHVHKSM-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.59
Rot. Bonds5

About 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721100) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721100
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(Br)c(Cn2cnc(CC(C)N)c2)c1
InChIInChI=1S/C14H18BrN3O/c1-10(16)5-12-8-18(9-17-12)7-11-6-13(19-2)3-4-14(11)15/h3-4,6,8-10H,5,7,16H2,1-2H3
InChIKeyQARWMTINHVHKSM-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720495
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[(2-bromo-5-methoxyphenyl)methyl]imidazole-4-carboxylic acid
CID 106717011
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721100) is 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is COc1ccc(Br)c(Cn2cnc(CC(C)N)c2)c1.
What is the InChIKey of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is QARWMTINHVHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(16)5-12-8-18(9-17-12)7-11-6-13(19-2)3-4-14(11)15/h3-4,6,8-10H,5,7,16H2,1-2H3.
What are the key properties of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).