4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid

C24H19N3O4 — CID 1026469

IUPAC4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C24H19N3O4/c28-21(12-13-22(29)30)25-18-9-6-16(7-10-18)24-26-19-11-8-17(14-20(19)27-24)23(31)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyVPODIEJFJOOVLO-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.26
Rot. Bonds7

About 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid

4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid (PubChem CID 1026469) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
PubChem CID1026469
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C24H19N3O4/c28-21(12-13-22(29)30)25-18-9-6-16(7-10-18)24-26-19-11-8-17(14-20(19)27-24)23(31)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyVPODIEJFJOOVLO-UHFFFAOYSA-N
XLogP4.26
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid (CID 1026469) is 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid?
The InChIKey is VPODIEJFJOOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-21(12-13-22(29)30)25-18-9-6-16(7-10-18)24-26-19-11-8-17(14-20(19)27-24)23(31)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid?
4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid has a molecular weight of 413.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-benzoyl-1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 1026469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).