methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate

C11H12N2O2 — CID 54045656

IUPACmethyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=CN1
InChIInChI=1S/C11H12N2O2/c1-15-10(14)11(7-12-8-13-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyLPKDBPKOQHXAOO-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds2

About methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate

methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 54045656) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID54045656
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=CN1
InChIInChI=1S/C11H12N2O2/c1-15-10(14)11(7-12-8-13-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyLPKDBPKOQHXAOO-UHFFFAOYSA-N
XLogP0.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate
CID 44591644
2-[1-(3,5-Difluorophenylacetamido)ethyl]-4-methoxycarbonyl-4-phenyl-2-imidazoline
CID 10431156
2-trifluoromethyl-4-phenyl-1H-imidazol-4-ylcarboxylic acid
CID 69800964
Methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]ethyl]-5-phenyl-1,4-dihydroimidazole-5-carboxylate
CID 70188036
N-Formyl-2-phenylalanine methyl ester, (dl)-
CID 590541
methyl (4R,5S)-5-phenyl-3,4-di(propan-2-yl)-4H-imidazole-5-carboxylate
CID 101758749
methyl (4R,5S)-4,5-dimethyl-4-(4-methylphenyl)-1H-imidazole-5-carboxylate
CID 101794074
methyl (2S,3S)-2-phenyl-3-propan-2-ylaziridine-2-carboxylate
CID 102079666
Ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate
CID 102201149
Methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 135041040
Methyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoate
CID 54894752
Methyl 2-[2-(dimethylamino)ethylamino]-2-(3-fluorophenyl)propanoate
CID 54894800

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate (CID 54045656) is methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate is COC(=O)C1(c2ccccc2)CN=CN1.
What is the InChIKey of methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is LPKDBPKOQHXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-10(14)11(7-12-8-13-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13).
What are the key properties of methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate?
methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 54045656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).