5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C18H17N5O3 — CID 70730610

IUPAC5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCc2[nH]cnc2C1C(=O)O
InChIInChI=1S/C18H17N5O3/c1-10-13(22-16(21-10)11-5-3-2-4-6-11)17(24)23-8-7-12-14(20-9-19-12)15(23)18(25)26/h2-6,9,15H,7-8H2,1H3,(H,19,20)(H,21,22)(H,25,26)
InChIKeyRSHRFVGBQPXQSF-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.93
Rot. Bonds3

About 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70730610) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70730610
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCc2[nH]cnc2C1C(=O)O
InChIInChI=1S/C18H17N5O3/c1-10-13(22-16(21-10)11-5-3-2-4-6-11)17(24)23-8-7-12-14(20-9-19-12)15(23)18(25)26/h2-6,9,15H,7-8H2,1H3,(H,19,20)(H,21,22)(H,25,26)
InChIKeyRSHRFVGBQPXQSF-UHFFFAOYSA-N
XLogP1.93
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 70730610) is 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCc2[nH]cnc2C1C(=O)O.
What is the InChIKey of 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is RSHRFVGBQPXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10-13(22-16(21-10)11-5-3-2-4-6-11)17(24)23-8-7-12-14(20-9-19-12)15(23)18(25)26/h2-6,9,15H,7-8H2,1H3,(H,19,20)(H,21,22)(H,25,26).
What are the key properties of 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70730610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).