N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide

C17H22N4O3 — CID 27019386

IUPACN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-2-10-20-13-5-3-4-6-14(13)21(17(20)24)11-9-15(22)18-19-16(23)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyNSPQWTIOIBYOFC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.16
Rot. Bonds6

About N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide

N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide (PubChem CID 27019386) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
PubChem CID27019386
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-2-10-20-13-5-3-4-6-14(13)21(17(20)24)11-9-15(22)18-19-16(23)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyNSPQWTIOIBYOFC-UHFFFAOYSA-N
XLogP1.16
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide (CID 27019386) is N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide is CCCn1c(=O)n(CCC(=O)NNC(=O)C2CC2)c2ccccc21.
What is the InChIKey of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide?
The InChIKey is NSPQWTIOIBYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-10-20-13-5-3-4-6-14(13)21(17(20)24)11-9-15(22)18-19-16(23)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide?
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide has a molecular weight of 330.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 27019386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).