1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one

C19H17BrN2O2 — CID 71597447

IUPAC1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2/c20-16-7-5-15(6-8-16)13-24-19-4-2-1-3-17(19)18(23)9-11-22-12-10-21-14-22/h1-8,10,12,14H,9,11,13H2
InChIKeyAEVMIQNBBXIXAD-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.50
Rot. Bonds7

About 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one

1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one (PubChem CID 71597447) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one
PubChem CID71597447
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2/c20-16-7-5-15(6-8-16)13-24-19-4-2-1-3-17(19)18(23)9-11-22-12-10-21-14-22/h1-8,10,12,14H,9,11,13H2
InChIKeyAEVMIQNBBXIXAD-UHFFFAOYSA-N
XLogP4.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
CID 10473365
1-Bromo-4-imidazol-1-ylmethyl-xanthen-9-one
CID 10546089
3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11639518
3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11696602
3-(Imidazolylmethyl)flavone
CID 11847316
3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-4H-chromen-4-one
CID 11847318
4-(3-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847319
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
2-Imidazol-1-ylmethylxanthen-9-one
CID 46867544
5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one
CID 10566470
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650
(4-(2-(1H-Imidazol-1-yl)ethoxy)phenyl)-(3-(4-bromophenyl)pyrrolidin-1-yl)methanone
CID 44527940

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one (CID 71597447) is 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)c1ccccc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is AEVMIQNBBXIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c20-16-7-5-15(6-8-16)13-24-19-4-2-1-3-17(19)18(23)9-11-22-12-10-21-14-22/h1-8,10,12,14H,9,11,13H2.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one?
1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 385.26 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]phenyl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 71597447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).