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

C18H18BrN3O — CID 4000715

IUPAC5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1
InChIInChI=1S/C18H18BrN3O/c1-22-17(14-5-7-15(19)8-6-14)12-21-18(22)20-11-13-3-9-16(23-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyNULXCRMNZCSTHR-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.47
Rot. Bonds5

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

5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 4000715) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID4000715
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1
InChIInChI=1S/C18H18BrN3O/c1-22-17(14-5-7-15(19)8-6-14)12-21-18(22)20-11-13-3-9-16(23-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyNULXCRMNZCSTHR-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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Related Compounds

4-[[[5-(4-bromophenyl)-1-methylimidazol-2-yl]amino]methyl]benzonitrile
CID 1096469
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126460429
5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 1096522
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 138040977
5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 3605721
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
CID 5028642
5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 4000715) is 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is NULXCRMNZCSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-17(14-5-7-15(19)8-6-14)12-21-18(22)20-11-13-3-9-16(23-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
5-(4-bromophenyl)-N-[(4-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-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 4000715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).