N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

C22H23F2N5O2 — CID 43840977

IUPACN-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)CC2N=C(N3CCN(c4ccc(F)cc4)CC3)NC2=O)c(F)c1
InChIInChI=1S/C22H23F2N5O2/c1-14-2-7-18(17(24)12-14)25-20(30)13-19-21(31)27-22(26-19)29-10-8-28(9-11-29)16-5-3-15(23)4-6-16/h2-7,12,19H,8-11,13H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyBDZZTVJEHPCIEH-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.28
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (PubChem CID 43840977) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
PubChem CID43840977
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)CC2N=C(N3CCN(c4ccc(F)cc4)CC3)NC2=O)c(F)c1
InChIInChI=1S/C22H23F2N5O2/c1-14-2-7-18(17(24)12-14)25-20(30)13-19-21(31)27-22(26-19)29-10-8-28(9-11-29)16-5-3-15(23)4-6-16/h2-7,12,19H,8-11,13H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyBDZZTVJEHPCIEH-UHFFFAOYSA-N
XLogP2.28
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 43841284
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949502
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
CID 130214972
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646863
cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905345
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (CID 43840977) is N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is Cc1ccc(NC(=O)CC2N=C(N3CCN(c4ccc(F)cc4)CC3)NC2=O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The InChIKey is BDZZTVJEHPCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-14-2-7-18(17(24)12-14)25-20(30)13-19-21(31)27-22(26-19)29-10-8-28(9-11-29)16-5-3-15(23)4-6-16/h2-7,12,19H,8-11,13H2,1H3,(H,25,30)(H,26,27,31).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide has a molecular weight of 427.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is sourced from PubChem (CID 43840977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).