3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid

C23H19FN4O3 — CID 11589786

IUPAC3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C23H19FN4O3/c24-16-6-8-17(9-7-16)26-23(31)27-18-10-11-20-19(12-18)25-14-28(20)21(13-22(29)30)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,29,30)(H2,26,27,31)
InChIKeyPGXIDDQHBRDEQI-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.88
Rot. Bonds6

About 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid

3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid (PubChem CID 11589786) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid
PubChem CID11589786
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C23H19FN4O3/c24-16-6-8-17(9-7-16)26-23(31)27-18-10-11-20-19(12-18)25-14-28(20)21(13-22(29)30)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,29,30)(H2,26,27,31)
InChIKeyPGXIDDQHBRDEQI-UHFFFAOYSA-N
XLogP4.88
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic 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 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid (CID 11589786) is 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The InChIKey is PGXIDDQHBRDEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-16-6-8-17(9-7-16)26-23(31)27-18-10-11-20-19(12-18)25-14-28(20)21(13-22(29)30)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,29,30)(H2,26,27,31).
What are the key properties of 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid?
3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid has a molecular weight of 418.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 11589786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).