N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C21H23N5O5S — CID 3947169

IUPACN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21
InChIInChI=1S/C21H23N5O5S/c1-25-18-8-3-2-7-17(18)22-19(25)14-20(27)23-24-21(28)15-5-4-6-16(13-15)32(29,30)26-9-11-31-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyVVSALKVOSQIIGL-UHFFFAOYSA-N
MW457.51 g/mol
LogP0.60
Rot. Bonds5

About N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 3947169) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID3947169
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC NameN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21
InChIInChI=1S/C21H23N5O5S/c1-25-18-8-3-2-7-17(18)22-19(25)14-20(27)23-24-21(28)15-5-4-6-16(13-15)32(29,30)26-9-11-31-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyVVSALKVOSQIIGL-UHFFFAOYSA-N
XLogP0.60
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 50.60
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

N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 30211712
3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 24634772
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
1-ethyl-2-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2102444
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 30211729

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 3947169) is N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is Cn1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21.
What is the InChIKey of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is VVSALKVOSQIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-25-18-8-3-2-7-17(18)22-19(25)14-20(27)23-24-21(28)15-5-4-6-16(13-15)32(29,30)26-9-11-31-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 457.51 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 3947169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).