(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

C20H20BrFN4O — CID 53037886

IUPAC(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN=C1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20BrFN4O/c21-16-7-5-15(6-8-16)19(27)26-10-9-23-20(26)25-13-11-24(12-14-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2
InChIKeyQIUUOWAZQOJOEY-UHFFFAOYSA-N
MW431.31 g/mol
LogP3.22
Rot. Bonds2

About (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53037886) has the molecular formula C20H20BrFN4O and a molecular weight of 431.31 g/mol. Its IUPAC name is (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53037886
Molecular FormulaC20H20BrFN4O
Molecular Weight431.31 g/mol
Exact Mass430.08
IUPAC Name(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN=C1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20BrFN4O/c21-16-7-5-15(6-8-16)19(27)26-10-9-23-20(26)25-13-11-24(12-14-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2
InChIKeyQIUUOWAZQOJOEY-UHFFFAOYSA-N
XLogP3.22
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (CID 53037886) is (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN=C1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is QIUUOWAZQOJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O/c21-16-7-5-15(6-8-16)19(27)26-10-9-23-20(26)25-13-11-24(12-14-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2.
What are the key properties of (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 431.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53037886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).