4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole

C20H21BrN2O — CID 139695535

IUPAC4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
SMILESCCC(Oc1ccccc1)c1nc(Cc2ccc(Br)cc2)c(C)[nH]1
InChIInChI=1S/C20H21BrN2O/c1-3-19(24-17-7-5-4-6-8-17)20-22-14(2)18(23-20)13-15-9-11-16(21)12-10-15/h4-12,19H,3,13H2,1-2H3,(H,22,23)
InChIKeyMEGCUASOOZCRGR-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.60
Rot. Bonds6

About 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole

4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole (PubChem CID 139695535) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
PubChem CID139695535
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
SMILESCCC(Oc1ccccc1)c1nc(Cc2ccc(Br)cc2)c(C)[nH]1
InChIInChI=1S/C20H21BrN2O/c1-3-19(24-17-7-5-4-6-8-17)20-22-14(2)18(23-20)13-15-9-11-16(21)12-10-15/h4-12,19H,3,13H2,1-2H3,(H,22,23)
InChIKeyMEGCUASOOZCRGR-UHFFFAOYSA-N
XLogP5.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The IUPAC name of 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole (CID 139695535) is 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole is CCC(Oc1ccccc1)c1nc(Cc2ccc(Br)cc2)c(C)[nH]1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The InChIKey is MEGCUASOOZCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-3-19(24-17-7-5-4-6-8-17)20-22-14(2)18(23-20)13-15-9-11-16(21)12-10-15/h4-12,19H,3,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole has a molecular weight of 385.31 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole is sourced from PubChem (CID 139695535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).