1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C22H21N3O3 — CID 14403785

IUPAC1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-21(11-16-7-3-1-4-8-16)25-14-18-19(12-20(25)22(27)28)24(15-23-18)13-17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,27,28)
InChIKeyJSRPPNHORAJQLL-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403785) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403785
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-21(11-16-7-3-1-4-8-16)25-14-18-19(12-20(25)22(27)28)24(15-23-18)13-17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,27,28)
InChIKeyJSRPPNHORAJQLL-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403785) is 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is JSRPPNHORAJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(11-16-7-3-1-4-8-16)25-14-18-19(12-20(25)22(27)28)24(15-23-18)13-17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,27,28).
What are the key properties of 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).