1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole

C18H17BrN2O — CID 155549556

IUPAC1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole
SMILESBrc1cccc(C(Cn2ccnc2)OCc2ccccc2)c1
InChIInChI=1S/C18H17BrN2O/c19-17-8-4-7-16(11-17)18(12-21-10-9-20-14-21)22-13-15-5-2-1-3-6-15/h1-11,14,18H,12-13H2
InChIKeyWNBITPSIBJDZAZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole

1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole (PubChem CID 155549556) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole
PubChem CID155549556
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole
SMILESBrc1cccc(C(Cn2ccnc2)OCc2ccccc2)c1
InChIInChI=1S/C18H17BrN2O/c19-17-8-4-7-16(11-17)18(12-21-10-9-20-14-21)22-13-15-5-2-1-3-6-15/h1-11,14,18H,12-13H2
InChIKeyWNBITPSIBJDZAZ-UHFFFAOYSA-N
XLogP4.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
O-[(1R)-2-imidazol-1-yl-1-phenylethyl] methanethioate
CID 22798678
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one
CID 142869426
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
CID 82827586
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole?
The IUPAC name of 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole (CID 155549556) is 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole.
What is the SMILES notation for 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole?
The canonical SMILES for 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole is Brc1cccc(C(Cn2ccnc2)OCc2ccccc2)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole?
The InChIKey is WNBITPSIBJDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c19-17-8-4-7-16(11-17)18(12-21-10-9-20-14-21)22-13-15-5-2-1-3-6-15/h1-11,14,18H,12-13H2.
What are the key properties of 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole?
1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole has a molecular weight of 357.25 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole is sourced from PubChem (CID 155549556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).