N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide

C14H20N4O2 — CID 77002937

IUPACN'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
SMILESCC(C)OCCn1c(CC(N)=NO)nc2ccccc21
InChIInChI=1S/C14H20N4O2/c1-10(2)20-8-7-18-12-6-4-3-5-11(12)16-14(18)9-13(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17)
InChIKeyAHKOFDUXBMLBPZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.75
Rot. Bonds6

About N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide

N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide (PubChem CID 77002937) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
PubChem CID77002937
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
SMILESCC(C)OCCn1c(CC(N)=NO)nc2ccccc21
InChIInChI=1S/C14H20N4O2/c1-10(2)20-8-7-18-12-6-4-3-5-11(12)16-14(18)9-13(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17)
InChIKeyAHKOFDUXBMLBPZ-UHFFFAOYSA-N
XLogP1.75
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
CID 114526601
N'-hydroxy-2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanimidamide
CID 115518307
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
2-(chloromethyl)-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005117
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)benzimidazol-2-yl]-N'-hydroxyethanimidamide
CID 77058048
2-[1-(2-fluoroethyl)benzimidazol-2-yl]ethanethioamide
CID 80695955
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
3-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63638770
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide (CID 77002937) is N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide is CC(C)OCCn1c(CC(N)=NO)nc2ccccc21.
What is the InChIKey of N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide?
The InChIKey is AHKOFDUXBMLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)20-8-7-18-12-6-4-3-5-11(12)16-14(18)9-13(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide?
N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide has a molecular weight of 276.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide is sourced from PubChem (CID 77002937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).