ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate

C19H25N5O3 — CID 9016927

IUPACethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccc3c(c2)nc(C)n3CC)CC1
InChIInChI=1S/C19H25N5O3/c1-4-24-13(3)20-16-12-14(6-7-17(16)24)18(25)22-21-15-8-10-23(11-9-15)19(26)27-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,25)
InChIKeyXQQUAEKILSZBTH-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.70
Rot. Bonds4

About ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate (PubChem CID 9016927) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate
PubChem CID9016927
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nameethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccc3c(c2)nc(C)n3CC)CC1
InChIInChI=1S/C19H25N5O3/c1-4-24-13(3)20-16-12-14(6-7-17(16)24)18(25)22-21-15-8-10-23(11-9-15)19(26)27-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,25)
InChIKeyXQQUAEKILSZBTH-UHFFFAOYSA-N
XLogP2.70
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate (CID 9016927) is ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)c2ccc3c(c2)nc(C)n3CC)CC1.
What is the InChIKey of ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is XQQUAEKILSZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-24-13(3)20-16-12-14(6-7-17(16)24)18(25)22-21-15-8-10-23(11-9-15)19(26)27-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 9016927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).