4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

C21H21BrN4O2 — CID 130215015

IUPAC4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESO=C(CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O)c1ccccc1Br
InChIInChI=1S/C21H21BrN4O2/c22-17-9-5-4-8-16(17)19(27)14-18-20(28)24-21(23-18)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24,28)
InChIKeyNPGJZVHHRKDRCW-UHFFFAOYSA-N
MW441.33 g/mol
LogP2.70
Rot. Bonds4

About 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (PubChem CID 130215015) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
PubChem CID130215015
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC Name4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESO=C(CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O)c1ccccc1Br
InChIInChI=1S/C21H21BrN4O2/c22-17-9-5-4-8-16(17)19(27)14-18-20(28)24-21(23-18)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24,28)
InChIKeyNPGJZVHHRKDRCW-UHFFFAOYSA-N
XLogP2.70
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (CID 130215015) is 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is O=C(CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O)c1ccccc1Br.
What is the InChIKey of 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is NPGJZVHHRKDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c22-17-9-5-4-8-16(17)19(27)14-18-20(28)24-21(23-18)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24,28).
What are the key properties of 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 441.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 130215015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).