2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide

C17H14ClN5O — CID 102594426

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
SMILESNNC(=O)Cn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C17H14ClN5O/c18-12-7-5-11(6-8-12)15-9-22-14-4-2-1-3-13(14)20-17(22)23(15)10-16(24)21-19/h1-9H,10,19H2,(H,21,24)
InChIKeyXDHIUHDENAMDDR-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide

2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide (PubChem CID 102594426) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
PubChem CID102594426
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
SMILESNNC(=O)Cn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C17H14ClN5O/c18-12-7-5-11(6-8-12)15-9-22-14-4-2-1-3-13(14)20-17(22)23(15)10-16(24)21-19/h1-9H,10,19H2,(H,21,24)
InChIKeyXDHIUHDENAMDDR-UHFFFAOYSA-N
XLogP2.60
TPSA77.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
N-(4-methoxyphenyl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755549
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
CID 7335047
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755184
N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
CID 2868552
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide (CID 102594426) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide is NNC(=O)Cn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide?
The InChIKey is XDHIUHDENAMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-12-7-5-11(6-8-12)15-9-22-14-4-2-1-3-13(14)20-17(22)23(15)10-16(24)21-19/h1-9H,10,19H2,(H,21,24).
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide?
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide has a molecular weight of 339.79 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide is sourced from PubChem (CID 102594426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).