2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile

C9H9N5 — CID 83416613

IUPAC2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
SMILESN#CCn1c(NN)nc2ccccc21
InChIInChI=1S/C9H9N5/c10-5-6-14-8-4-2-1-3-7(8)12-9(14)13-11/h1-4H,6,11H2,(H,12,13)
InChIKeyJHGMUTOWQDIPHD-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.85
Rot. Bonds2

About 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile

2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile (PubChem CID 83416613) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
PubChem CID83416613
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
SMILESN#CCn1c(NN)nc2ccccc21
InChIInChI=1S/C9H9N5/c10-5-6-14-8-4-2-1-3-7(8)12-9(14)13-11/h1-4H,6,11H2,(H,12,13)
InChIKeyJHGMUTOWQDIPHD-UHFFFAOYSA-N
XLogP0.85
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
CID 45276595
2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
CID 39151520
2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945
2-(benzotriazol-2-yl)acetonitrile
CID 640743
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile?
The IUPAC name of 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile (CID 83416613) is 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile is N#CCn1c(NN)nc2ccccc21.
What is the InChIKey of 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile?
The InChIKey is JHGMUTOWQDIPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-5-6-14-8-4-2-1-3-7(8)12-9(14)13-11/h1-4H,6,11H2,(H,12,13).
What are the key properties of 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile?
2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile is sourced from PubChem (CID 83416613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).