N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide

C13H12N4O3S — CID 146582273

IUPACN-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCONc1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)s1
InChIInChI=1S/C13H12N4O3S/c1-20-17-11-5-4-10(21-11)12-14-8-3-2-7(13(18)16-19)6-9(8)15-12/h2-6,17,19H,1H3,(H,14,15)(H,16,18)
InChIKeyOKGXACDDZBLWFV-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.38
Rot. Bonds4

About N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide

N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 146582273) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID146582273
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCONc1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)s1
InChIInChI=1S/C13H12N4O3S/c1-20-17-11-5-4-10(21-11)12-14-8-3-2-7(13(18)16-19)6-9(8)15-12/h2-6,17,19H,1H3,(H,14,15)(H,16,18)
InChIKeyOKGXACDDZBLWFV-UHFFFAOYSA-N
XLogP2.38
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.38
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 N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide (CID 146582273) is N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide is CONc1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)s1.
What is the InChIKey of N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OKGXACDDZBLWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-17-11-5-4-10(21-11)12-14-8-3-2-7(13(18)16-19)6-9(8)15-12/h2-6,17,19H,1H3,(H,14,15)(H,16,18).
What are the key properties of N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide?
N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146582273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).