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

C23H24N4O3 — CID 14403795

IUPAC1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(=O)O
InChIInChI=1S/C23H24N4O3/c1-25(13-17-8-4-2-5-9-17)23(30)27-15-19-20(12-21(27)22(28)29)26(16-24-19)14-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,28,29)
InChIKeyYYOWGGJEASOOEN-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.99
Rot. Bonds5

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

1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403795) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403795
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(=O)O
InChIInChI=1S/C23H24N4O3/c1-25(13-17-8-4-2-5-9-17)23(30)27-15-19-20(12-21(27)22(28)29)26(16-24-19)14-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,28,29)
InChIKeyYYOWGGJEASOOEN-UHFFFAOYSA-N
XLogP2.99
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403795) is 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is CN(Cc1ccccc1)C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(=O)O.
What is the InChIKey of 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is YYOWGGJEASOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-25(13-17-8-4-2-5-9-17)23(30)27-15-19-20(12-21(27)22(28)29)26(16-24-19)14-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,28,29).
What are the key properties of 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[benzyl(methyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).