1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C29H27N3O3 — CID 14457565

IUPAC1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O3/c33-28(16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23)32-19-25-26(17-27(32)29(34)35)31(20-30-25)18-21-10-4-1-5-11-21/h1-15,20,24,27H,16-19H2,(H,34,35)
InChIKeyOEUMBQRMVCGPQG-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.49
Rot. Bonds7

About 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14457565) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14457565
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N3O3/c33-28(16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23)32-19-25-26(17-27(32)29(34)35)31(20-30-25)18-21-10-4-1-5-11-21/h1-15,20,24,27H,16-19H2,(H,34,35)
InChIKeyOEUMBQRMVCGPQG-UHFFFAOYSA-N
XLogP4.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14457565) is 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2c(ncn2Cc2ccccc2)CN1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is OEUMBQRMVCGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28(16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23)32-19-25-26(17-27(32)29(34)35)31(20-30-25)18-21-10-4-1-5-11-21/h1-15,20,24,27H,16-19H2,(H,34,35).
What are the key properties of 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 465.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).