2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid

C15H17FN2O2 — CID 95479005

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
SMILESCc1cc(-c2nc(C(C)C)[nH]c2CC(=O)O)ccc1F
InChIInChI=1S/C15H17FN2O2/c1-8(2)15-17-12(7-13(19)20)14(18-15)10-4-5-11(16)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDBJVLALKOCSPPX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid

2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid (PubChem CID 95479005) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
PubChem CID95479005
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
SMILESCc1cc(-c2nc(C(C)C)[nH]c2CC(=O)O)ccc1F
InChIInChI=1S/C15H17FN2O2/c1-8(2)15-17-12(7-13(19)20)14(18-15)10-4-5-11(16)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDBJVLALKOCSPPX-UHFFFAOYSA-N
XLogP3.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
CID 82300491
6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515067
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 116864179
4-(4-fluoro-3-methylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824076
2-[2-(2,2-dimethylpropanoylamino)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97035856
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid (CID 95479005) is 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid is Cc1cc(-c2nc(C(C)C)[nH]c2CC(=O)O)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid?
The InChIKey is DBJVLALKOCSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-8(2)15-17-12(7-13(19)20)14(18-15)10-4-5-11(16)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid?
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 95479005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).