2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

C22H17N3O2 — CID 90407168

IUPAC2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3cccc(-c4ccccc4)c3)cn2)c1
InChIInChI=1S/C22H17N3O2/c26-22(27)19-9-10-23-20(12-19)21-14-25(15-24-21)13-16-5-4-8-18(11-16)17-6-2-1-3-7-17/h1-12,14-15H,13H2,(H,26,27)
InChIKeyIGXZIIVCDBVBSB-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.36
Rot. Bonds5

About 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407168) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407168
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3cccc(-c4ccccc4)c3)cn2)c1
InChIInChI=1S/C22H17N3O2/c26-22(27)19-9-10-23-20(12-19)21-14-25(15-24-21)13-16-5-4-8-18(11-16)17-6-2-1-3-7-17/h1-12,14-15H,13H2,(H,26,27)
InChIKeyIGXZIIVCDBVBSB-UHFFFAOYSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407168) is 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(Cc3cccc(-c4ccccc4)c3)cn2)c1.
What is the InChIKey of 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is IGXZIIVCDBVBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(27)19-9-10-23-20(12-19)21-14-25(15-24-21)13-16-5-4-8-18(11-16)17-6-2-1-3-7-17/h1-12,14-15H,13H2,(H,26,27).
What are the key properties of 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).