2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid

C10H8F2N2O2 — CID 22729449

IUPAC2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(O)N1CCN=C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N2O2/c11-7-2-1-6(5-8(7)12)9-13-3-4-14(9)10(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyMVCSHIUIPLSHFV-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.71
Rot. Bonds1

About 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid

2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 22729449) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID22729449
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(O)N1CCN=C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N2O2/c11-7-2-1-6(5-8(7)12)9-13-3-4-14(9)10(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyMVCSHIUIPLSHFV-UHFFFAOYSA-N
XLogP1.71
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid (CID 22729449) is 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid is O=C(O)N1CCN=C1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is MVCSHIUIPLSHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-7-2-1-6(5-8(7)12)9-13-3-4-14(9)10(15)16/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid?
2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 226.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 22729449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).