2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide

C13H19N5O — CID 82067484

IUPAC2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
SMILESCC(C)(C)c1nc2c(N)cccc2n1CC(=O)NN
InChIInChI=1S/C13H19N5O/c1-13(2,3)12-16-11-8(14)5-4-6-9(11)18(12)7-10(19)17-15/h4-6H,7,14-15H2,1-3H3,(H,17,19)
InChIKeyIETMWQLWIYEZIC-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.91
Rot. Bonds2

About 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide

2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067484) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067484
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
SMILESCC(C)(C)c1nc2c(N)cccc2n1CC(=O)NN
InChIInChI=1S/C13H19N5O/c1-13(2,3)12-16-11-8(14)5-4-6-9(11)18(12)7-10(19)17-15/h4-6H,7,14-15H2,1-3H3,(H,17,19)
InChIKeyIETMWQLWIYEZIC-UHFFFAOYSA-N
XLogP0.91
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
propan-2-yl 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetate
CID 82067496
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067742
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
CID 115542843
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide (CID 82067484) is 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide is CC(C)(C)c1nc2c(N)cccc2n1CC(=O)NN.
What is the InChIKey of 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is IETMWQLWIYEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,3)12-16-11-8(14)5-4-6-9(11)18(12)7-10(19)17-15/h4-6H,7,14-15H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide?
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 261.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).