4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid

C22H17N3O2 — CID 118303566

IUPAC4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
SMILESCc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
InChIKeyKSIHALPJIJZKBN-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.81
Rot. Bonds4

About 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid

4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid (PubChem CID 118303566) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
PubChem CID118303566
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
SMILESCc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27)
InChIKeyKSIHALPJIJZKBN-UHFFFAOYSA-N
XLogP4.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid (CID 118303566) is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid is Cc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The InChIKey is KSIHALPJIJZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-3-2-4-18(13-14)20-19(15-9-11-23-12-10-15)24-21(25-20)16-5-7-17(8-6-16)22(26)27/h2-13H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid has a molecular weight of 355.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 118303566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).