methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate

C14H16N2O2 — CID 11776585

IUPACmethyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccccc2)c1C(C)C
InChIInChI=1S/C14H16N2O2/c1-10(2)13-12(14(17)18-3)15-9-16(13)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeySEUNITSLKBWGIH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds3

About methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate

methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate (PubChem CID 11776585) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate
PubChem CID11776585
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccccc2)c1C(C)C
InChIInChI=1S/C14H16N2O2/c1-10(2)13-12(14(17)18-3)15-9-16(13)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeySEUNITSLKBWGIH-UHFFFAOYSA-N
XLogP2.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-oxo-1-phenyl-6-propan-2-ylpyridazine-3,5-dicarboxylate
CID 14031226
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
methyl 5-amino-1-(2-phenylpropyl)imidazole-4-carboxylate
CID 103546066
ethyl 1-phenyl-5-[(2-sulfanylacetyl)amino]imidazole-4-carboxylate
CID 88972654
methyl 5-(2-methoxy-2-oxoethyl)-4-phenyl-5H-imidazo[1,5-a]quinazoline-3-carboxylate
CID 132526101
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426
methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate
CID 12955184
dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
CID 175044351
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
methyl 4-bromo-5-tert-butyl-1-phenylpyrazole-3-carboxylate
CID 53263021

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate?
The IUPAC name of methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate (CID 11776585) is methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate?
The canonical SMILES for methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate is COC(=O)c1ncn(-c2ccccc2)c1C(C)C.
What is the InChIKey of methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate?
The InChIKey is SEUNITSLKBWGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)13-12(14(17)18-3)15-9-16(13)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate?
methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 11776585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).