5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C20H19N3O2 — CID 70764292

IUPAC5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25)19-18-17(21-13-22-18)10-11-23(19)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-9,13,19H,10-12H2,(H,21,22)(H,24,25)
InChIKeyBKGVCLYYCJAVOG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.26
Rot. Bonds4

About 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70764292) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70764292
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25)19-18-17(21-13-22-18)10-11-23(19)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-9,13,19H,10-12H2,(H,21,22)(H,24,25)
InChIKeyBKGVCLYYCJAVOG-UHFFFAOYSA-N
XLogP3.26
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 70764292) is 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1c2nc[nH]c2CCN1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is BKGVCLYYCJAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)19-18-17(21-13-22-18)10-11-23(19)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-9,13,19H,10-12H2,(H,21,22)(H,24,25).
What are the key properties of 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70764292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).