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

C20H21FN4O3 — CID 27019412

IUPAC2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H21FN4O3/c1-2-12-24-16-9-5-6-10-17(16)25(20(24)28)13-11-18(26)22-23-19(27)14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyLYMIDODGMNXFOZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.20
Rot. Bonds6

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

2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide (PubChem CID 27019412) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
PubChem CID27019412
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H21FN4O3/c1-2-12-24-16-9-5-6-10-17(16)25(20(24)28)13-11-18(26)22-23-19(27)14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyLYMIDODGMNXFOZ-UHFFFAOYSA-N
XLogP2.20
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.20
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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Related Compounds

N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24541013
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 51255034
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942
4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24634971
N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 27681597
2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
CID 43035304
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 17464567

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide (CID 27019412) is 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide is CCCn1c(=O)n(CCC(=O)NNC(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide?
The InChIKey is LYMIDODGMNXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-2-12-24-16-9-5-6-10-17(16)25(20(24)28)13-11-18(26)22-23-19(27)14-7-3-4-8-15(14)21/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide?
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide has a molecular weight of 384.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 27019412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).