N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C23H27N5O3S — CID 42906196

IUPACN-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)C(CCSC)NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H27N5O3S/c1-4-28-15(2)24-19-14-17(10-11-20(19)28)22(30)26-27-23(31)18(12-13-32-3)25-21(29)16-8-6-5-7-9-16/h5-11,14,18H,4,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyKSKFWZWPPYZZAF-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.68
Rot. Bonds8

About N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 42906196) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID42906196
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)C(CCSC)NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H27N5O3S/c1-4-28-15(2)24-19-14-17(10-11-20(19)28)22(30)26-27-23(31)18(12-13-32-3)25-21(29)16-8-6-5-7-9-16/h5-11,14,18H,4,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyKSKFWZWPPYZZAF-UHFFFAOYSA-N
XLogP2.68
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
N-[(2S)-1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 7969182
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-2-methyl-N'-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)benzimidazole-5-carbohydrazide
CID 51109748
2-chloro-N-[1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55343331
N-[4-methylsulfanyl-1-oxo-1-[2-(2-pyridin-3-ylquinoline-4-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 42910619

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 42906196) is N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CCn1c(C)nc2cc(C(=O)NNC(=O)C(CCSC)NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is KSKFWZWPPYZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-4-28-15(2)24-19-14-17(10-11-20(19)28)22(30)26-27-23(31)18(12-13-32-3)25-21(29)16-8-6-5-7-9-16/h5-11,14,18H,4,12-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 453.57 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42906196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).