2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide

C11H15N7O2 — CID 53376155

IUPAC2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide
SMILES[H]N=c1n(CC(=O)NN)c2ccccc2n1CC(=O)NN
InChIInChI=1S/C11H15N7O2/c12-11-17(5-9(19)15-13)7-3-1-2-4-8(7)18(11)6-10(20)16-14/h1-4,12H,5-6,13-14H2,(H,15,19)(H,16,20)
InChIKeyYFAZJBSWPSJNIL-UHFFFAOYSA-N
MW277.29 g/mol
LogP-2.10
Rot. Bonds4

About 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide

2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide (PubChem CID 53376155) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide
PubChem CID53376155
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide
SMILES[H]N=c1n(CC(=O)NN)c2ccccc2n1CC(=O)NN
InChIInChI=1S/C11H15N7O2/c12-11-17(5-9(19)15-13)7-3-1-2-4-8(7)18(11)6-10(20)16-14/h1-4,12H,5-6,13-14H2,(H,15,19)(H,16,20)
InChIKeyYFAZJBSWPSJNIL-UHFFFAOYSA-N
XLogP-2.10
TPSA143.95 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide?
The IUPAC name of 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide (CID 53376155) is 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide is [H]N=c1n(CC(=O)NN)c2ccccc2n1CC(=O)NN.
What is the InChIKey of 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide?
The InChIKey is YFAZJBSWPSJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c12-11-17(5-9(19)15-13)7-3-1-2-4-8(7)18(11)6-10(20)16-14/h1-4,12H,5-6,13-14H2,(H,15,19)(H,16,20).
What are the key properties of 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide?
2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide has a molecular weight of 277.29 g/mol, XLogP of -2.10, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydrazinyl-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetohydrazide is sourced from PubChem (CID 53376155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).