2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C19H23N5O3 — CID 127254749

IUPAC2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H23N5O3/c1-11(2)13-4-6-15(7-5-13)24-18(26)16(22-19(24)27)8-17(25)20-9-14-10-21-23-12(14)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,25)(H,21,23)(H,22,27)/t16-/m0/s1
InChIKeyCAMCQPGMCVRIAG-INIZCTEOSA-N
MW369.43 g/mol
LogP1.97
Rot. Bonds6

About 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 127254749) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID127254749
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H23N5O3/c1-11(2)13-4-6-15(7-5-13)24-18(26)16(22-19(24)27)8-17(25)20-9-14-10-21-23-12(14)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,25)(H,21,23)(H,22,27)/t16-/m0/s1
InChIKeyCAMCQPGMCVRIAG-INIZCTEOSA-N
XLogP1.97
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
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 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 127254749) is 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)C[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is CAMCQPGMCVRIAG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(2)13-4-6-15(7-5-13)24-18(26)16(22-19(24)27)8-17(25)20-9-14-10-21-23-12(14)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,20,25)(H,21,23)(H,22,27)/t16-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 127254749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).