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

C15H20N2O2 — CID 135041040

IUPACmethyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCCCN1C=NC(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-4-10-17-11-16-13(15(18)19-2)14(17)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3
InChIKeyGQHFPYSFQXRUSJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds5

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

methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (PubChem CID 135041040) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
PubChem CID135041040
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCCCN1C=NC(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-4-10-17-11-16-13(15(18)19-2)14(17)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3
InChIKeyGQHFPYSFQXRUSJ-UHFFFAOYSA-N
XLogP2.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (4R,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylate
CID 44591522
methyl (4R,5R)-3,5-dibenzyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591523
DL-Phenylalanine, N-dimethylaminomethylene-, methyl ester
CID 14977446
p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, methyl ester
CID 91717897
p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, ethyl ester
CID 91722525
3-Amino-3-(4-fluorophenyl)propionic acid, N-dimethylaminomethylene-, ethyl ester
CID 91727269
DL-2-fluorophenylglycine, N-dimethylaminomethylene-, ethyl ester
CID 91727271
DL-2-fluorophenylglycine, N-dimethylaminomethylene-, methyl ester
CID 91727272
3-Amino-3-(4-fluorophenyl)propionic acid, N-dimethylaminomethylene-, methyl ester
CID 91727273
sodium (2R)-2-(dimethylaminomethylideneamino)-2-phenylacetate
CID 23692154
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791

Frequently Asked Questions

What is the IUPAC name of methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (CID 135041040) is methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is CCCCN1C=NC(C(=O)OC)C1c1ccccc1.
What is the InChIKey of methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The InChIKey is GQHFPYSFQXRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-10-17-11-16-13(15(18)19-2)14(17)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3.
What are the key properties of methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 135041040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).