(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C24H19ClN4O3 — CID 40895481

IUPAC(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H19ClN4O3/c1-24(20-8-5-13-32-20)22(30)28(23(31)26-24)14-17-15-29(19-6-3-2-4-7-19)27-21(17)16-9-11-18(25)12-10-16/h2-13,15H,14H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyMGKSOJYBEVUEKQ-XMMPIXPASA-N
MW446.89 g/mol
LogP4.75
Rot. Bonds5

About (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 40895481) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID40895481
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H19ClN4O3/c1-24(20-8-5-13-32-20)22(30)28(23(31)26-24)14-17-15-29(19-6-3-2-4-7-19)27-21(17)16-9-11-18(25)12-10-16/h2-13,15H,14H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyMGKSOJYBEVUEKQ-XMMPIXPASA-N
XLogP4.75
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 27723530
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
CID 67048003
CID 67048003
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 103054477
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
CID 30292753
(5R,6S)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703185
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 17446948

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 40895481) is (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccco2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MGKSOJYBEVUEKQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-24(20-8-5-13-32-20)22(30)28(23(31)26-24)14-17-15-29(19-6-3-2-4-7-19)27-21(17)16-9-11-18(25)12-10-16/h2-13,15H,14H2,1H3,(H,26,31)/t24-/m1/s1.
What are the key properties of (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 446.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40895481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).