2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide

C11H14N4O — CID 116843404

IUPAC2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
SMILESCc1nc2cc(CC(=O)NN)ccc2n1C
InChIInChI=1S/C11H14N4O/c1-7-13-9-5-8(6-11(16)14-12)3-4-10(9)15(7)2/h3-5H,6,12H2,1-2H3,(H,14,16)
InChIKeyBDSRIROTQVSTNN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.41
Rot. Bonds2

About 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide

2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide (PubChem CID 116843404) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
PubChem CID116843404
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
SMILESCc1nc2cc(CC(=O)NN)ccc2n1C
InChIInChI=1S/C11H14N4O/c1-7-13-9-5-8(6-11(16)14-12)3-4-10(9)15(7)2/h3-5H,6,12H2,1-2H3,(H,14,16)
InChIKeyBDSRIROTQVSTNN-UHFFFAOYSA-N
XLogP0.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110773212
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide (CID 116843404) is 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide is Cc1nc2cc(CC(=O)NN)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide?
The InChIKey is BDSRIROTQVSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-13-9-5-8(6-11(16)14-12)3-4-10(9)15(7)2/h3-5H,6,12H2,1-2H3,(H,14,16).
What are the key properties of 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide?
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide has a molecular weight of 218.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide is sourced from PubChem (CID 116843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).