methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate

C17H16N2O2 — CID 132531074

IUPACmethyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NCCN2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-18-11-12-19(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyHLBDPHOEUPRUCN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds3

About methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate

methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate (PubChem CID 132531074) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate
PubChem CID132531074
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NCCN2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-18-11-12-19(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyHLBDPHOEUPRUCN-UHFFFAOYSA-N
XLogP2.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate?
The IUPAC name of methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate (CID 132531074) is methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate is COC(=O)c1ccc(C2=NCCN2c2ccccc2)cc1.
What is the InChIKey of methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate?
The InChIKey is HLBDPHOEUPRUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-18-11-12-19(16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate?
methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate has a molecular weight of 280.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-phenyl-4,5-dihydroimidazol-2-yl)benzoate is sourced from PubChem (CID 132531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).