hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate

C11H14N4O2 — CID 66337324

IUPAChydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
SMILESCc1nc2ccccc2n1CCC(=O)ONN
InChIInChI=1S/C11H14N4O2/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)17-14-12/h2-5,14H,6-7,12H2,1H3
InChIKeyXSCDJVHICJJCPP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.66
Rot. Bonds4

About hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate

hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate (PubChem CID 66337324) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
PubChem CID66337324
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namehydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
SMILESCc1nc2ccccc2n1CCC(=O)ONN
InChIInChI=1S/C11H14N4O2/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)17-14-12/h2-5,14H,6-7,12H2,1H3
InChIKeyXSCDJVHICJJCPP-UHFFFAOYSA-N
XLogP0.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate
CID 66338796
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate (CID 66337324) is hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate is Cc1nc2ccccc2n1CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate?
The InChIKey is XSCDJVHICJJCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)17-14-12/h2-5,14H,6-7,12H2,1H3.
What are the key properties of hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate?
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate has a molecular weight of 234.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 66337324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).