3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide

C18H20ClN5O3 — CID 124862866

IUPAC3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)nn1C
InChIInChI=1S/C18H20ClN5O3/c1-11-9-15(22-23(11)2)21-16(25)8-7-14-17(26)24(18(27)20-14)10-12-5-3-4-6-13(12)19/h3-6,9,14H,7-8,10H2,1-2H3,(H,20,27)(H,21,22,25)/t14-/m1/s1
InChIKeyPEOLQANOGAHYKL-CQSZACIVSA-N
MW389.84 g/mol
LogP2.22
Rot. Bonds6

About 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide

3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 124862866) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
PubChem CID124862866
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)nn1C
InChIInChI=1S/C18H20ClN5O3/c1-11-9-15(22-23(11)2)21-16(25)8-7-14-17(26)24(18(27)20-14)10-12-5-3-4-6-13(12)19/h3-6,9,14H,7-8,10H2,1-2H3,(H,20,27)(H,21,22,25)/t14-/m1/s1
InChIKeyPEOLQANOGAHYKL-CQSZACIVSA-N
XLogP2.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
CID 75490651
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124860659
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124861341
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 91640727
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 97496369
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 124862588
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 91639108
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 51836404
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91821777
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91901529

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide (CID 124862866) is 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)nn1C.
What is the InChIKey of 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is PEOLQANOGAHYKL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-11-9-15(22-23(11)2)21-16(25)8-7-14-17(26)24(18(27)20-14)10-12-5-3-4-6-13(12)19/h3-6,9,14H,7-8,10H2,1-2H3,(H,20,27)(H,21,22,25)/t14-/m1/s1.
What are the key properties of 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide?
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 389.84 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 124862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).