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

C16H17N5O3 — CID 99948662

IUPAC2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)C[C@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-10-17-6-7-21(10)12-4-2-11(3-5-12)9-18-14(22)8-13-15(23)20-16(24)19-13/h2-7,13H,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t13-/m1/s1
InChIKeyFSWDNEAHWHLPLP-CYBMUJFWSA-N
MW327.34 g/mol
LogP0.40
Rot. Bonds5

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

2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 99948662) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID99948662
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)C[C@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-10-17-6-7-21(10)12-4-2-11(3-5-12)9-18-14(22)8-13-15(23)20-16(24)19-13/h2-7,13H,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t13-/m1/s1
InChIKeyFSWDNEAHWHLPLP-CYBMUJFWSA-N
XLogP0.40
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
2-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47150142
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72937129
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441211
(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154563740
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 77090031

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (CID 99948662) is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is Cc1nccn1-c1ccc(CNC(=O)C[C@H]2NC(=O)NC2=O)cc1.
What is the InChIKey of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is FSWDNEAHWHLPLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-17-6-7-21(10)12-4-2-11(3-5-12)9-18-14(22)8-13-15(23)20-16(24)19-13/h2-7,13H,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t13-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 99948662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).