3-(2-methylbenzimidazol-1-yl)propanehydrazide

C11H14N4O — CID 4738084

IUPAC3-(2-methylbenzimidazol-1-yl)propanehydrazide
SMILESCc1nc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C11H14N4O/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)14-12/h2-5H,6-7,12H2,1H3,(H,14,16)
InChIKeyFROZUXYTWSZHCN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.72
Rot. Bonds3

About 3-(2-methylbenzimidazol-1-yl)propanehydrazide

3-(2-methylbenzimidazol-1-yl)propanehydrazide (PubChem CID 4738084) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)propanehydrazide
PubChem CID4738084
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(2-methylbenzimidazol-1-yl)propanehydrazide
SMILESCc1nc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C11H14N4O/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)14-12/h2-5H,6-7,12H2,1H3,(H,14,16)
InChIKeyFROZUXYTWSZHCN-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.72
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

hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
CID 134824089
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91765392
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
CID 157017533
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)propanehydrazide (CID 4738084) is 3-(2-methylbenzimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)propanehydrazide is Cc1nc2ccccc2n1CCC(=O)NN.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)propanehydrazide?
The InChIKey is FROZUXYTWSZHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-13-9-4-2-3-5-10(9)15(8)7-6-11(16)14-12/h2-5H,6-7,12H2,1H3,(H,14,16).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)propanehydrazide?
3-(2-methylbenzimidazol-1-yl)propanehydrazide has a molecular weight of 218.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 4738084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).