methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate

C14H16N2O2 — CID 63086247

IUPACmethyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-14(2,10-7-5-4-6-8-10)13-15-9-11(16-13)12(17)18-3/h4-9H,1-3H3,(H,15,16)
InChIKeyOEKUYXZCBLSSSL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate

methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate (PubChem CID 63086247) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate
PubChem CID63086247
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O2/c1-14(2,10-7-5-4-6-8-10)13-15-9-11(16-13)12(17)18-3/h4-9H,1-3H3,(H,15,16)
InChIKeyOEKUYXZCBLSSSL-UHFFFAOYSA-N
XLogP2.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate (CID 63086247) is methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(C(C)(C)c2ccccc2)[nH]1.
What is the InChIKey of methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate?
The InChIKey is OEKUYXZCBLSSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,10-7-5-4-6-8-10)13-15-9-11(16-13)12(17)18-3/h4-9H,1-3H3,(H,15,16).
What are the key properties of methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate?
methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylpropan-2-yl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 63086247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).