N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H18ClN3O3 — CID 2702240

IUPACN-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H18ClN3O3/c1-19(14-9-5-6-10-15(14)20)17(25)23(18(26)22-19)12-16(24)21-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H,22,26)/t19-/m0/s1
InChIKeySRWZXOYEYCKBOX-IBGZPJMESA-N
MW371.82 g/mol
LogP2.42
Rot. Bonds5

About N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2702240) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2702240
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H18ClN3O3/c1-19(14-9-5-6-10-15(14)20)17(25)23(18(26)22-19)12-16(24)21-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H,22,26)/t19-/m0/s1
InChIKeySRWZXOYEYCKBOX-IBGZPJMESA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2702240) is N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is SRWZXOYEYCKBOX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(14-9-5-6-10-15(14)20)17(25)23(18(26)22-19)12-16(24)21-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H,22,26)/t19-/m0/s1.
What are the key properties of N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2702240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).