3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide

C19H26N4O2 — CID 24634766

IUPAC3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
SMILESCn1c(CC(=O)NNC(=O)CCC2CCCCC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-23-16-10-6-5-9-15(16)20-17(23)13-19(25)22-21-18(24)12-11-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNJYWHVHNBIGMJW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds5

About 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide

3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide (PubChem CID 24634766) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
PubChem CID24634766
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
SMILESCn1c(CC(=O)NNC(=O)CCC2CCCCC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-23-16-10-6-5-9-15(16)20-17(23)13-19(25)22-21-18(24)12-11-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNJYWHVHNBIGMJW-UHFFFAOYSA-N
XLogP2.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The IUPAC name of 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide (CID 24634766) is 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide is Cn1c(CC(=O)NNC(=O)CCC2CCCCC2)nc2ccccc21.
What is the InChIKey of 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The InChIKey is NJYWHVHNBIGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23-16-10-6-5-9-15(16)20-17(23)13-19(25)22-21-18(24)12-11-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide has a molecular weight of 342.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide is sourced from PubChem (CID 24634766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).