3-ethyl-N-hydroxybenzimidazole-5-carboxamide

C10H11N3O2 — CID 87266116

IUPAC3-ethyl-N-hydroxybenzimidazole-5-carboxamide
SMILESCCn1cnc2ccc(C(=O)NO)cc21
InChIInChI=1S/C10H11N3O2/c1-2-13-6-11-8-4-3-7(5-9(8)13)10(14)12-15/h3-6,15H,2H2,1H3,(H,12,14)
InChIKeyBSCDOHRXOIRGOY-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.18
Rot. Bonds2

About 3-ethyl-N-hydroxybenzimidazole-5-carboxamide

3-ethyl-N-hydroxybenzimidazole-5-carboxamide (PubChem CID 87266116) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-ethyl-N-hydroxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-hydroxybenzimidazole-5-carboxamide
PubChem CID87266116
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-ethyl-N-hydroxybenzimidazole-5-carboxamide
SMILESCCn1cnc2ccc(C(=O)NO)cc21
InChIInChI=1S/C10H11N3O2/c1-2-13-6-11-8-4-3-7(5-9(8)13)10(14)12-15/h3-6,15H,2H2,1H3,(H,12,14)
InChIKeyBSCDOHRXOIRGOY-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87265978
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
(3-ethylbenzimidazol-5-yl)boronic acid
CID 130053676
6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide
CID 170105840
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
6-ethoxy-1-ethylbenzimidazole
CID 54758751
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
3-(2-ethylhexyl)benzimidazole-5-carboxylic acid
CID 107817484

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-hydroxybenzimidazole-5-carboxamide (CID 87266116) is 3-ethyl-N-hydroxybenzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-hydroxybenzimidazole-5-carboxamide is CCn1cnc2ccc(C(=O)NO)cc21.
What is the InChIKey of 3-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The InChIKey is BSCDOHRXOIRGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-13-6-11-8-4-3-7(5-9(8)13)10(14)12-15/h3-6,15H,2H2,1H3,(H,12,14).
What are the key properties of 3-ethyl-N-hydroxybenzimidazole-5-carboxamide?
3-ethyl-N-hydroxybenzimidazole-5-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hydroxybenzimidazole-5-carboxamide is sourced from PubChem (CID 87266116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).