4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid

C19H16N2O2 — CID 145051065

IUPAC4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid
SMILESC/C=C/c1cc(C(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-3-15-12-16(19(22)23)6-9-18(15)14-4-7-17(8-5-14)21-11-10-20-13-21/h2-13H,1H3,(H,22,23)/b3-2+
InChIKeyITXLPWUNBJJHAH-NSCUHMNNSA-N
MW304.35 g/mol
LogP4.27
Rot. Bonds4

About 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid

4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid (PubChem CID 145051065) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid
PubChem CID145051065
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid
SMILESC/C=C/c1cc(C(=O)O)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-3-15-12-16(19(22)23)6-9-18(15)14-4-7-17(8-5-14)21-11-10-20-13-21/h2-13H,1H3,(H,22,23)/b3-2+
InChIKeyITXLPWUNBJJHAH-NSCUHMNNSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid (CID 145051065) is 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid is C/C=C/c1cc(C(=O)O)ccc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid?
The InChIKey is ITXLPWUNBJJHAH-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-3-15-12-16(19(22)23)6-9-18(15)14-4-7-17(8-5-14)21-11-10-20-13-21/h2-13H,1H3,(H,22,23)/b3-2+.
What are the key properties of 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid?
4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid is sourced from PubChem (CID 145051065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).