3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide

C15H12N4O4 — CID 134459963

IUPAC3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C15H12N4O4/c20-14(19-21)8-2-1-3-9(4-8)16-15-17-10-5-12-13(23-7-22-12)6-11(10)18-15/h1-6,21H,7H2,(H,19,20)(H2,16,17,18)
InChIKeyVWGGRHIEQJBMNQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.15
Rot. Bonds3

About 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide

3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide (PubChem CID 134459963) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide.

Molecular Properties

Compound Name3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide
PubChem CID134459963
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C15H12N4O4/c20-14(19-21)8-2-1-3-9(4-8)16-15-17-10-5-12-13(23-7-22-12)6-11(10)18-15/h1-6,21H,7H2,(H,19,20)(H2,16,17,18)
InChIKeyVWGGRHIEQJBMNQ-UHFFFAOYSA-N
XLogP2.15
TPSA108.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide?
The IUPAC name of 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide (CID 134459963) is 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide.
What is the SMILES notation for 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide?
The canonical SMILES for 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide is O=C(NO)c1cccc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1.
What is the InChIKey of 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide?
The InChIKey is VWGGRHIEQJBMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-14(19-21)8-2-1-3-9(4-8)16-15-17-10-5-12-13(23-7-22-12)6-11(10)18-15/h1-6,21H,7H2,(H,19,20)(H2,16,17,18).
What are the key properties of 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide?
3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide has a molecular weight of 312.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylamino)-N-hydroxybenzamide is sourced from PubChem (CID 134459963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).