2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid

C22H18N4O2 — CID 50953355

IUPAC2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1
InChIInChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28)
InChIKeyJRELHIHZJJZATR-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid

2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid (PubChem CID 50953355) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
PubChem CID50953355
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1
InChIInChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28)
InChIKeyJRELHIHZJJZATR-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The IUPAC name of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid (CID 50953355) is 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The canonical SMILES for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid is Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cn1.
What is the InChIKey of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
The InChIKey is JRELHIHZJJZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-11-24-17(12-23-15)13-26-14-25-20(16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)22(27)28/h2-12,14H,13H2,1H3,(H,27,28).
What are the key properties of 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid?
2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylpyrazin-2-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid is sourced from PubChem (CID 50953355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).