methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate

C17H19N3O2 — CID 56625106

IUPACmethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(C2=NCNC2)C=C1c1ccccc1C
InChIInChI=1S/C17H19N3O2/c1-12-5-3-4-6-14(12)16-9-13(15-10-18-11-19-15)7-8-20(16)17(21)22-2/h3-9,13,18H,10-11H2,1-2H3
InChIKeyQCSUJZHEUSZITQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate

methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate (PubChem CID 56625106) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate
PubChem CID56625106
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namemethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(C2=NCNC2)C=C1c1ccccc1C
InChIInChI=1S/C17H19N3O2/c1-12-5-3-4-6-14(12)16-9-13(15-10-18-11-19-15)7-8-20(16)17(21)22-2/h3-9,13,18H,10-11H2,1-2H3
InChIKeyQCSUJZHEUSZITQ-UHFFFAOYSA-N
XLogP2.55
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(4-fluorophenyl)-4H-pyridine-1-carboxylate
CID 56607951
1-[[2-(Aminomethyl)-4-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 63289754
1-[[2-(Aminomethyl)-5-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 64764825
1-[[2-(Aminomethyl)-5-fluorophenyl]methyl]-4-methylpyrimidin-2-one
CID 114217367
3-benzyl-4-(2-methylphenyl)-1H-imidazol-2-one
CID 70453732
3-[1-(2-propan-2-ylphenyl)butyl]-1H-imidazol-2-one
CID 88437973
1-[1-(1,5-dimethyl-6-methylidene-3-pyridinyl)-3-ethanimidoyl-5-methylidene-2-phenyl-2H-pyrrol-4-yl]-3-methylurea
CID 173702399
1-[[2-(Aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 16795896
1-[[2-(3-Aminoprop-1-ynyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 61539743
4,6-Dimethyl-1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyrimidin-2-one
CID 61751587
1-[2-(Ethylamino)-2-(2-methylphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61754322
1-[[2-(Aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one
CID 114217362

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate (CID 56625106) is methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate is COC(=O)N1C=CC(C2=NCNC2)C=C1c1ccccc1C.
What is the InChIKey of methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate?
The InChIKey is QCSUJZHEUSZITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-5-3-4-6-14(12)16-9-13(15-10-18-11-19-15)7-8-20(16)17(21)22-2/h3-9,13,18H,10-11H2,1-2H3.
What are the key properties of methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate?
methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dihydro-1H-imidazol-4-yl)-2-(2-methylphenyl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 56625106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).