5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine

C18H18BrN3O — CID 3929868

IUPAC5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1
InChIInChI=1S/C18H18BrN3O/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUBFGAIHRWAPZPF-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.47
Rot. Bonds5

About 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine

5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 3929868) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID3929868
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1
InChIInChI=1S/C18H18BrN3O/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUBFGAIHRWAPZPF-UHFFFAOYSA-N
XLogP4.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 3929868) is 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is UBFGAIHRWAPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 372.27 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 3929868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).