N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C19H17FN4O2S — CID 9418556

IUPACN'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(CSCc1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c20-15-6-8-16(9-7-15)24-13-21-10-17(24)19(26)23-22-18(25)12-27-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,25)(H,23,26)
InChIKeyFHVLUUGAYWYWFO-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.71
Rot. Bonds6

About N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 9418556) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID9418556
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(CSCc1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c20-15-6-8-16(9-7-15)24-13-21-10-17(24)19(26)23-22-18(25)12-27-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,25)(H,23,26)
InChIKeyFHVLUUGAYWYWFO-UHFFFAOYSA-N
XLogP2.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.71
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-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
CID 4795823
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 21175320
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 11941116

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 9418556) is N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(CSCc1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is FHVLUUGAYWYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-15-6-8-16(9-7-15)24-13-21-10-17(24)19(26)23-22-18(25)12-27-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 9418556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).