4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C27H24ClFN4O3 — CID 122606268

IUPAC4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C27H24ClFN4O3/c1-36-22-11-7-18(8-12-22)26-31-24(17-5-9-20(28)10-6-17)25(19-3-2-4-21(29)15-19)33(26)27(35)32-14-13-30-23(34)16-32/h2-12,15,24-25H,13-14,16H2,1H3,(H,30,34)
InChIKeyXVQUMPRJVYVXIW-UHFFFAOYSA-N
MW506.97 g/mol
LogP4.58
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 122606268) has the molecular formula C27H24ClFN4O3 and a molecular weight of 506.97 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID122606268
Molecular FormulaC27H24ClFN4O3
Molecular Weight506.97 g/mol
Exact Mass506.15
IUPAC Name4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C27H24ClFN4O3/c1-36-22-11-7-18(8-12-22)26-31-24(17-5-9-20(28)10-6-17)25(19-3-2-4-21(29)15-19)33(26)27(35)32-14-13-30-23(34)16-32/h2-12,15,24-25H,13-14,16H2,1H3,(H,30,34)
InChIKeyXVQUMPRJVYVXIW-UHFFFAOYSA-N
XLogP4.58
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880874
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880928
4-[5-(3-chlorophenyl)-2,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880975
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 123429964
4-[(4R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 71023979
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118883235
4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-ethoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606273
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880947
4-[(4R,5S)-4-(3,4-dimethylphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 95065700
4-[(4S,5S)-4-(3,4-dimethylphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 95065697
4-[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 22721063

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 122606268) is 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is XVQUMPRJVYVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O3/c1-36-22-11-7-18(8-12-22)26-31-24(17-5-9-20(28)10-6-17)25(19-3-2-4-21(29)15-19)33(26)27(35)32-14-13-30-23(34)16-32/h2-12,15,24-25H,13-14,16H2,1H3,(H,30,34).
What are the key properties of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 506.97 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 122606268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).