5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid

C19H19N3O4 — CID 118717485

IUPAC5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid
SMILESCOc1ccc2nc(-c3ccc(NC(=O)CCCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O4/c1-26-14-9-10-15-16(11-14)22-19(21-15)12-5-7-13(8-6-12)20-17(23)3-2-4-18(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyUUEXDTDXYFFNRA-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.43
Rot. Bonds7

About 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid

5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid (PubChem CID 118717485) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid
PubChem CID118717485
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid
SMILESCOc1ccc2nc(-c3ccc(NC(=O)CCCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O4/c1-26-14-9-10-15-16(11-14)22-19(21-15)12-5-7-13(8-6-12)20-17(23)3-2-4-18(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyUUEXDTDXYFFNRA-UHFFFAOYSA-N
XLogP3.43
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid (CID 118717485) is 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid is COc1ccc2nc(-c3ccc(NC(=O)CCCC(=O)O)cc3)[nH]c2c1.
What is the InChIKey of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid?
The InChIKey is UUEXDTDXYFFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-14-9-10-15-16(11-14)22-19(21-15)12-5-7-13(8-6-12)20-17(23)3-2-4-18(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid?
5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid has a molecular weight of 353.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 118717485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).