2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid

C22H18N4O3 — CID 68971249

IUPAC2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(CCc2ccccc2)n1
InChIInChI=1S/C22H18N4O3/c27-20(26-22-24-17-10-5-9-16(21(28)29)19(17)25-22)18-11-4-8-15(23-18)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,28,29)(H2,24,25,26,27)
InChIKeyKEQNGOHKHULJDQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid

2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68971249) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
PubChem CID68971249
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(CCc2ccccc2)n1
InChIInChI=1S/C22H18N4O3/c27-20(26-22-24-17-10-5-9-16(21(28)29)19(17)25-22)18-11-4-8-15(23-18)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,28,29)(H2,24,25,26,27)
InChIKeyKEQNGOHKHULJDQ-UHFFFAOYSA-N
XLogP3.69
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-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 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid (CID 68971249) is 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid is O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(CCc2ccccc2)n1.
What is the InChIKey of 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is KEQNGOHKHULJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20(26-22-24-17-10-5-9-16(21(28)29)19(17)25-22)18-11-4-8-15(23-18)13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid?
2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68971249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).