1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide

C23H23FN6O2 — CID 46589011

IUPAC1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-4-20-18(13-25-30(20)17-9-7-16(24)8-10-17)23(32)28-27-22(31)15-6-11-21-19(12-15)26-14(3)29(21)5-2/h6-13H,4-5H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDMBWQOQAJRTVAX-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.33
Rot. Bonds5

About 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide

1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 46589011) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
PubChem CID46589011
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-4-20-18(13-25-30(20)17-9-7-16(24)8-10-17)23(32)28-27-22(31)15-6-11-21-19(12-15)26-14(3)29(21)5-2/h6-13H,4-5H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDMBWQOQAJRTVAX-UHFFFAOYSA-N
XLogP3.33
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24621720
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide (CID 46589011) is 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide is CCc1c(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is DMBWQOQAJRTVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-4-20-18(13-25-30(20)17-9-7-16(24)8-10-17)23(32)28-27-22(31)15-6-11-21-19(12-15)26-14(3)29(21)5-2/h6-13H,4-5H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 434.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 46589011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).