2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide

C12H17N5O — CID 82067406

IUPAC2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
SMILESCC(C)c1nc2c(N)cccc2n1CC(=O)NN
InChIInChI=1S/C12H17N5O/c1-7(2)12-15-11-8(13)4-3-5-9(11)17(12)6-10(18)16-14/h3-5,7H,6,13-14H2,1-2H3,(H,16,18)
InChIKeyITLXINPBXQWPPK-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.73
Rot. Bonds3

About 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide

2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067406) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067406
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
SMILESCC(C)c1nc2c(N)cccc2n1CC(=O)NN
InChIInChI=1S/C12H17N5O/c1-7(2)12-15-11-8(13)4-3-5-9(11)17(12)6-10(18)16-14/h3-5,7H,6,13-14H2,1-2H3,(H,16,18)
InChIKeyITLXINPBXQWPPK-UHFFFAOYSA-N
XLogP0.73
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.73
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-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
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-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
CID 82067478
2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
CID 93215632
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide (CID 82067406) is 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide is CC(C)c1nc2c(N)cccc2n1CC(=O)NN.
What is the InChIKey of 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is ITLXINPBXQWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7(2)12-15-11-8(13)4-3-5-9(11)17(12)6-10(18)16-14/h3-5,7H,6,13-14H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide?
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).