2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide

C21H25N5O3 — CID 93242265

IUPAC2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide
SMILESCn1c(-c2ccccc2)cnc1NC(=O)C[C@H]1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H25N5O3/c1-25-17(14-8-4-2-5-9-14)13-22-20(25)24-18(27)12-16-19(28)26(21(29)23-16)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,23,29)(H,22,24,27)/t16-/m1/s1
InChIKeyZRLUBESZLCSFKD-MRXNPFEDSA-N
MW395.46 g/mol
LogP2.67
Rot. Bonds5

About 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide

2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide (PubChem CID 93242265) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide
PubChem CID93242265
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide
SMILESCn1c(-c2ccccc2)cnc1NC(=O)C[C@H]1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H25N5O3/c1-25-17(14-8-4-2-5-9-14)13-22-20(25)24-18(27)12-16-19(28)26(21(29)23-16)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,23,29)(H,22,24,27)/t16-/m1/s1
InChIKeyZRLUBESZLCSFKD-MRXNPFEDSA-N
XLogP2.67
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide?
The IUPAC name of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide (CID 93242265) is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide?
The canonical SMILES for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide is Cn1c(-c2ccccc2)cnc1NC(=O)C[C@H]1NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide?
The InChIKey is ZRLUBESZLCSFKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25-17(14-8-4-2-5-9-14)13-22-20(25)24-18(27)12-16-19(28)26(21(29)23-16)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,23,29)(H,22,24,27)/t16-/m1/s1.
What are the key properties of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide?
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide is sourced from PubChem (CID 93242265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).