methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate

C12H15N3O2 — CID 114400162

IUPACmethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C12H15N3O2/c1-17-11(16)10(9-5-3-2-4-6-9)15-12-13-7-8-14-12/h2-6,10H,7-8H2,1H3,(H2,13,14,15)
InChIKeyGTGPUKFGAIZMRV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.45
Rot. Bonds3

About methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate

methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate (PubChem CID 114400162) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate
PubChem CID114400162
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C12H15N3O2/c1-17-11(16)10(9-5-3-2-4-6-9)15-12-13-7-8-14-12/h2-6,10H,7-8H2,1H3,(H2,13,14,15)
InChIKeyGTGPUKFGAIZMRV-UHFFFAOYSA-N
XLogP0.45
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoate
CID 170212082
methyl 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-phenylacetate
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methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
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methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate (CID 114400162) is methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate is COC(=O)C(NC1=NCCN1)c1ccccc1.
What is the InChIKey of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate?
The InChIKey is GTGPUKFGAIZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11(16)10(9-5-3-2-4-6-9)15-12-13-7-8-14-12/h2-6,10H,7-8H2,1H3,(H2,13,14,15).
What are the key properties of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate?
methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate has a molecular weight of 233.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-phenylacetate is sourced from PubChem (CID 114400162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).