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

C16H20N2O2 — CID 82306427

IUPAC3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
SMILESCc1ccc(-c2nc(C(C)C)[nH]c2CCC(=O)O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)16-17-13(8-9-14(19)20)15(18-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMGRPGKHGPFSHHN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.53
Rot. Bonds5

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

3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid (PubChem CID 82306427) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
PubChem CID82306427
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
SMILESCc1ccc(-c2nc(C(C)C)[nH]c2CCC(=O)O)cc1
InChIInChI=1S/C16H20N2O2/c1-10(2)16-17-13(8-9-14(19)20)15(18-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMGRPGKHGPFSHHN-UHFFFAOYSA-N
XLogP3.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
CID 82300491
3-[2-bromo-4-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]propanoic acid
CID 84611218
2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
3-[2-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propanoic acid
CID 82488789
3-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid
CID 136923244
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid
CID 71657499
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid (CID 82306427) is 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid is Cc1ccc(-c2nc(C(C)C)[nH]c2CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid?
The InChIKey is MGRPGKHGPFSHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)16-17-13(8-9-14(19)20)15(18-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid?
3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 82306427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).