2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide

C10H12N4O — CID 90229020

IUPAC2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide
SMILESCCc1nc2c(/C(N)=N/O)cccc2[nH]1
InChIInChI=1S/C10H12N4O/c1-2-8-12-7-5-3-4-6(9(7)13-8)10(11)14-15/h3-5,15H,2H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDQJLDAFTSUZHKC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.22
Rot. Bonds2

About 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide

2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide (PubChem CID 90229020) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide
PubChem CID90229020
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide
SMILESCCc1nc2c(/C(N)=N/O)cccc2[nH]1
InChIInChI=1S/C10H12N4O/c1-2-8-12-7-5-3-4-6(9(7)13-8)10(11)14-15/h3-5,15H,2H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDQJLDAFTSUZHKC-UHFFFAOYSA-N
XLogP1.22
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide (CID 90229020) is 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide is CCc1nc2c(/C(N)=N/O)cccc2[nH]1.
What is the InChIKey of 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide?
The InChIKey is DQJLDAFTSUZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-8-12-7-5-3-4-6(9(7)13-8)10(11)14-15/h3-5,15H,2H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide?
2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide has a molecular weight of 204.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-1H-benzimidazole-4-carboximidamide is sourced from PubChem (CID 90229020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).