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

C21H20N4O3 — CID 14403770

IUPAC1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3/c26-20(27)19-11-18-17(22-14-24(18)12-15-7-3-1-4-8-15)13-25(19)21(28)23-16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H,23,28)(H,26,27)
InChIKeyPMKVUAMGQRYBBI-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.97
Rot. Bonds4

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

1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403770) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403770
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3/c26-20(27)19-11-18-17(22-14-24(18)12-15-7-3-1-4-8-15)13-25(19)21(28)23-16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H,23,28)(H,26,27)
InChIKeyPMKVUAMGQRYBBI-UHFFFAOYSA-N
XLogP2.97
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403770) is 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is PMKVUAMGQRYBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(27)19-11-18-17(22-14-24(18)12-15-7-3-1-4-8-15)13-25(19)21(28)23-16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H,23,28)(H,26,27).
What are the key properties of 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 376.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(phenylcarbamoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).