5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid

C15H12N2O2S — CID 63377944

IUPAC5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccnc2-c2ccccc2)s1
InChIInChI=1S/C15H12N2O2S/c18-15(19)13-7-6-12(20-13)10-17-9-8-16-14(17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyKSTIXICPXBZHKA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.36
Rot. Bonds4

About 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid

5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63377944) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63377944
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccnc2-c2ccccc2)s1
InChIInChI=1S/C15H12N2O2S/c18-15(19)13-7-6-12(20-13)10-17-9-8-16-14(17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyKSTIXICPXBZHKA-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid (CID 63377944) is 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2ccnc2-c2ccccc2)s1.
What is the InChIKey of 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is KSTIXICPXBZHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(19)13-7-6-12(20-13)10-17-9-8-16-14(17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19).
What are the key properties of 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).