methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate

C18H20N2O2 — CID 174463600

IUPACmethyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(N2CCN=C2C)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C18H20N2O2/c1-14-19-11-12-20(14)18(17(21)22-2)10-6-9-16(13-18)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3
InChIKeyYWHMDWLNDWFPJM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.68
Rot. Bonds3

About methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate

methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 174463600) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate
PubChem CID174463600
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(N2CCN=C2C)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C18H20N2O2/c1-14-19-11-12-20(14)18(17(21)22-2)10-6-9-16(13-18)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3
InChIKeyYWHMDWLNDWFPJM-UHFFFAOYSA-N
XLogP2.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate (CID 174463600) is methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate is COC(=O)C1(N2CCN=C2C)C=CC=C(c2ccccc2)C1.
What is the InChIKey of methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is YWHMDWLNDWFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-19-11-12-20(14)18(17(21)22-2)10-6-9-16(13-18)15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3.
What are the key properties of methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate?
methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-4,5-dihydroimidazol-1-yl)-5-phenylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 174463600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).