2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid

C17H19ClN2O3 — CID 69074711

IUPAC2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)n1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C17H19ClN2O3/c1-3-17(2,15(21)22)19-10-14(11-4-6-12(18)7-5-11)20(16(19)23)13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyVKHSSICRJTWRKJ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid

2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid (PubChem CID 69074711) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid
PubChem CID69074711
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)n1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C17H19ClN2O3/c1-3-17(2,15(21)22)19-10-14(11-4-6-12(18)7-5-11)20(16(19)23)13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyVKHSSICRJTWRKJ-UHFFFAOYSA-N
XLogP3.51
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid (CID 69074711) is 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid is CCC(C)(C(=O)O)n1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid?
The InChIKey is VKHSSICRJTWRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-3-17(2,15(21)22)19-10-14(11-4-6-12(18)7-5-11)20(16(19)23)13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid?
2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid has a molecular weight of 334.80 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3-cyclopropyl-2-oxoimidazol-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 69074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).