N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline

C18H18BrN3O — CID 99578177

IUPACN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C18H18BrN3O/c1-23-12-14-5-2-3-8-16(14)20-11-18-21-10-17(22-18)13-6-4-7-15(19)9-13/h2-10,20H,11-12H2,1H3,(H,21,22)
InChIKeyNMZYFFBWVLICKY-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.60
Rot. Bonds6

About N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline (PubChem CID 99578177) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline
PubChem CID99578177
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C18H18BrN3O/c1-23-12-14-5-2-3-8-16(14)20-11-18-21-10-17(22-18)13-6-4-7-15(19)9-13/h2-10,20H,11-12H2,1H3,(H,21,22)
InChIKeyNMZYFFBWVLICKY-UHFFFAOYSA-N
XLogP4.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline (CID 99578177) is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline?
The InChIKey is NMZYFFBWVLICKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-23-12-14-5-2-3-8-16(14)20-11-18-21-10-17(22-18)13-6-4-7-15(19)9-13/h2-10,20H,11-12H2,1H3,(H,21,22).
What are the key properties of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline?
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline has a molecular weight of 372.27 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 99578177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).