3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

C18H15N5O2 — CID 24634772

IUPAC3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C18H15N5O2/c1-23-15-8-3-2-7-14(15)20-16(23)10-17(24)21-22-18(25)13-6-4-5-12(9-13)11-19/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyIQZFCFFLNWHRSR-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.45
Rot. Bonds3

About 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (PubChem CID 24634772) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
PubChem CID24634772
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C18H15N5O2/c1-23-15-8-3-2-7-14(15)20-16(23)10-17(24)21-22-18(25)13-6-4-5-12(9-13)11-19/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyIQZFCFFLNWHRSR-UHFFFAOYSA-N
XLogP1.45
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.45
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

3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 3947169
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
CID 4789695
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 25351820
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
5-bromo-3-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 25490154
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (CID 24634772) is 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is Cn1c(CC(=O)NNC(=O)c2cccc(C#N)c2)nc2ccccc21.
What is the InChIKey of 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The InChIKey is IQZFCFFLNWHRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-23-15-8-3-2-7-14(15)20-16(23)10-17(24)21-22-18(25)13-6-4-5-12(9-13)11-19/h2-9H,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide has a molecular weight of 333.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 24634772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).