2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid

C15H10FN3O3 — CID 68968407

IUPAC2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-9-6-4-8(5-7-9)13(20)19-15-17-11-3-1-2-10(14(21)22)12(11)18-15/h1-7H,(H,21,22)(H2,17,18,19,20)
InChIKeyMSLIGHKJDDNAIO-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.65
Rot. Bonds3

About 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid

2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68968407) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
PubChem CID68968407
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-9-6-4-8(5-7-9)13(20)19-15-17-11-3-1-2-10(14(21)22)12(11)18-15/h1-7H,(H,21,22)(H2,17,18,19,20)
InChIKeyMSLIGHKJDDNAIO-UHFFFAOYSA-N
XLogP2.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid (CID 68968407) is 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid is O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is MSLIGHKJDDNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-9-6-4-8(5-7-9)13(20)19-15-17-11-3-1-2-10(14(21)22)12(11)18-15/h1-7H,(H,21,22)(H2,17,18,19,20).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid?
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68968407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).