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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Related Compounds

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 119128377
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine
CID 119128426
3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide
CID 119128447
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 75502062
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962296
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148

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).