N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide

C23H22FN5O3S — CID 24621720

IUPACN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3sc(COc4ccc(F)cc4)nc3C)ccc21
InChIInChI=1S/C23H22FN5O3S/c1-4-29-14(3)26-18-11-15(5-10-19(18)29)22(30)27-28-23(31)21-13(2)25-20(33-21)12-32-17-8-6-16(24)7-9-17/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyABZCPICNSGAVOJ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.92
Rot. Bonds6

About N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide

N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 24621720) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID24621720
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC NameN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3sc(COc4ccc(F)cc4)nc3C)ccc21
InChIInChI=1S/C23H22FN5O3S/c1-4-29-14(3)26-18-11-15(5-10-19(18)29)22(30)27-28-23(31)21-13(2)25-20(33-21)12-32-17-8-6-16(24)7-9-17/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyABZCPICNSGAVOJ-UHFFFAOYSA-N
XLogP3.92
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
(4-methoxycarbonylphenyl) 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616472
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119568744
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112826458
1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 46589011
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24639532
N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616440

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide (CID 24621720) is N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3sc(COc4ccc(F)cc4)nc3C)ccc21.
What is the InChIKey of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ABZCPICNSGAVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-4-29-14(3)26-18-11-15(5-10-19(18)29)22(30)27-28-23(31)21-13(2)25-20(33-21)12-32-17-8-6-16(24)7-9-17/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 467.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24621720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).