(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

C17H18Cl2N4O2 — CID 99797466

IUPAC(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1ccc(CN2C(=O)N[C@@H](Cc3cc(Cl)cc(Cl)c3)C2=O)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10(2)23-4-3-14(21-23)9-22-16(24)15(20-17(22)25)7-11-5-12(18)8-13(19)6-11/h3-6,8,10,15H,7,9H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyXKBOABZZGGPWHR-HNNXBMFYSA-N
MW381.26 g/mol
LogP3.43
Rot. Bonds5

About (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 99797466) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID99797466
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1ccc(CN2C(=O)N[C@@H](Cc3cc(Cl)cc(Cl)c3)C2=O)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10(2)23-4-3-14(21-23)9-22-16(24)15(20-17(22)25)7-11-5-12(18)8-13(19)6-11/h3-6,8,10,15H,7,9H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyXKBOABZZGGPWHR-HNNXBMFYSA-N
XLogP3.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 99797466) is (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is CC(C)n1ccc(CN2C(=O)N[C@@H](Cc3cc(Cl)cc(Cl)c3)C2=O)n1.
What is the InChIKey of (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XKBOABZZGGPWHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10(2)23-4-3-14(21-23)9-22-16(24)15(20-17(22)25)7-11-5-12(18)8-13(19)6-11/h3-6,8,10,15H,7,9H2,1-2H3,(H,20,25)/t15-/m0/s1.
What are the key properties of (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 381.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99797466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).