3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid

C11H12N2O2S — CID 116878655

IUPAC3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1ccsc1-c1cnc(CCC(=O)O)[nH]1
InChIInChI=1S/C11H12N2O2S/c1-7-4-5-16-11(7)8-6-12-9(13-8)2-3-10(14)15/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDECBOIQEBZOCZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.46
Rot. Bonds4

About 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid

3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 116878655) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid
PubChem CID116878655
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1ccsc1-c1cnc(CCC(=O)O)[nH]1
InChIInChI=1S/C11H12N2O2S/c1-7-4-5-16-11(7)8-6-12-9(13-8)2-3-10(14)15/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDECBOIQEBZOCZ-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-(3-methylthiophen-2-yl)-1H-imidazole
CID 116878147
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485281
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 84666763
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 63990889
3-(5-phosphono-1H-imidazol-2-yl)propanoic acid
CID 126605385
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882217
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid (CID 116878655) is 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid is Cc1ccsc1-c1cnc(CCC(=O)O)[nH]1.
What is the InChIKey of 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is CDECBOIQEBZOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-4-5-16-11(7)8-6-12-9(13-8)2-3-10(14)15/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid?
3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 236.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 116878655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).