2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid

C26H23Cl2FN4O3 — CID 67954203

IUPAC2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
SMILESCc1nnc(-c2nc(C3CCCCC3)n(-c3cc(Cl)ccc3CC(=O)O)c2-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C26H23Cl2FN4O3/c1-14-31-32-26(36-14)23-24(17-8-10-20(29)19(28)11-17)33(25(30-23)15-5-3-2-4-6-15)21-13-18(27)9-7-16(21)12-22(34)35/h7-11,13,15H,2-6,12H2,1H3,(H,34,35)
InChIKeyFZEXBSUMJZXZDV-UHFFFAOYSA-N
MW529.40 g/mol
LogP7.02
Rot. Bonds6

About 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid

2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid (PubChem CID 67954203) has the molecular formula C26H23Cl2FN4O3 and a molecular weight of 529.40 g/mol. Its IUPAC name is 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
PubChem CID67954203
Molecular FormulaC26H23Cl2FN4O3
Molecular Weight529.40 g/mol
Exact Mass528.11
IUPAC Name2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
SMILESCc1nnc(-c2nc(C3CCCCC3)n(-c3cc(Cl)ccc3CC(=O)O)c2-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C26H23Cl2FN4O3/c1-14-31-32-26(36-14)23-24(17-8-10-20(29)19(28)11-17)33(25(30-23)15-5-3-2-4-6-15)21-13-18(27)9-7-16(21)12-22(34)35/h7-11,13,15H,2-6,12H2,1H3,(H,34,35)
InChIKeyFZEXBSUMJZXZDV-UHFFFAOYSA-N
XLogP7.02
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.40
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid (CID 67954203) is 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid is Cc1nnc(-c2nc(C3CCCCC3)n(-c3cc(Cl)ccc3CC(=O)O)c2-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid?
The InChIKey is FZEXBSUMJZXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN4O3/c1-14-31-32-26(36-14)23-24(17-8-10-20(29)19(28)11-17)33(25(30-23)15-5-3-2-4-6-15)21-13-18(27)9-7-16(21)12-22(34)35/h7-11,13,15H,2-6,12H2,1H3,(H,34,35).
What are the key properties of 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid?
2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid has a molecular weight of 529.40 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 67954203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).