2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole

C17H17BrN2O — CID 82252865

IUPAC2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1COCc1ccccc1C1=NCCN1
InChIInChI=1S/C17H17BrN2O/c18-16-8-4-2-6-14(16)12-21-11-13-5-1-3-7-15(13)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20)
InChIKeyKWDFHEIUSFVOPE-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.52
Rot. Bonds5

About 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82252865) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82252865
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1COCc1ccccc1C1=NCCN1
InChIInChI=1S/C17H17BrN2O/c18-16-8-4-2-6-14(16)12-21-11-13-5-1-3-7-15(13)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20)
InChIKeyKWDFHEIUSFVOPE-UHFFFAOYSA-N
XLogP3.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-[2-[2-(2-bromo-5-methylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 143153209
2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 11311265
2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82245681
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11265984
2-[2-[2-(5-chloro-2-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 59715415
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11536881
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole (CID 82252865) is 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole is Brc1ccccc1COCc1ccccc1C1=NCCN1.
What is the InChIKey of 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KWDFHEIUSFVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-16-8-4-2-6-14(16)12-21-11-13-5-1-3-7-15(13)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20).
What are the key properties of 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 345.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82252865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).