4,5-dihydroimidazol-1-yl benzoate

C10H10N2O2 — CID 18961684

IUPAC4,5-dihydroimidazol-1-yl benzoate
SMILESO=C(ON1C=NCC1)c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-10(9-4-2-1-3-5-9)14-12-7-6-11-8-12/h1-5,8H,6-7H2
InChIKeyQWKWVHKVAFMGCQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.10
Rot. Bonds2

About 4,5-dihydroimidazol-1-yl benzoate

4,5-dihydroimidazol-1-yl benzoate (PubChem CID 18961684) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl benzoate.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl benzoate
PubChem CID18961684
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4,5-dihydroimidazol-1-yl benzoate
SMILESO=C(ON1C=NCC1)c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-10(9-4-2-1-3-5-9)14-12-7-6-11-8-12/h1-5,8H,6-7H2
InChIKeyQWKWVHKVAFMGCQ-UHFFFAOYSA-N
XLogP1.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl benzoate?
The IUPAC name of 4,5-dihydroimidazol-1-yl benzoate (CID 18961684) is 4,5-dihydroimidazol-1-yl benzoate.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl benzoate?
The canonical SMILES for 4,5-dihydroimidazol-1-yl benzoate is O=C(ON1C=NCC1)c1ccccc1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl benzoate?
The InChIKey is QWKWVHKVAFMGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(9-4-2-1-3-5-9)14-12-7-6-11-8-12/h1-5,8H,6-7H2.
What are the key properties of 4,5-dihydroimidazol-1-yl benzoate?
4,5-dihydroimidazol-1-yl benzoate has a molecular weight of 190.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl benzoate is sourced from PubChem (CID 18961684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).