3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid

C15H18N2O2 — CID 82300491

IUPAC3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
SMILESCC(C)c1nc(-c2ccccc2)c(CCC(=O)O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-12(8-9-13(18)19)14(17-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMRWMPTJSUXKVAC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid

3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid (PubChem CID 82300491) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
PubChem CID82300491
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
SMILESCC(C)c1nc(-c2ccccc2)c(CCC(=O)O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-12(8-9-13(18)19)14(17-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMRWMPTJSUXKVAC-UHFFFAOYSA-N
XLogP3.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
CID 82306427
2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
3-[2-bromo-4-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]propanoic acid
CID 84611218
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
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
(5-ethyl-4-phenyl-1H-imidazol-2-yl)-phenylmethanamine
CID 43651569
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
1-(5-ethyl-4-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60842488
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one
CID 146048744

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid (CID 82300491) is 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid is CC(C)c1nc(-c2ccccc2)c(CCC(=O)O)[nH]1.
What is the InChIKey of 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is MRWMPTJSUXKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)15-16-12(8-9-13(18)19)14(17-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid?
3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 82300491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).