4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

C17H15ClN4O2 — CID 3603733

IUPAC4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C17H15ClN4O2/c1-22-14-5-3-2-4-13(14)19-15(22)10-16(23)20-21-17(24)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyNTLSIKNBABSWBJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (PubChem CID 3603733) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
PubChem CID3603733
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C17H15ClN4O2/c1-22-14-5-3-2-4-13(14)19-15(22)10-16(23)20-21-17(24)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyNTLSIKNBABSWBJ-UHFFFAOYSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 24634772
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
CID 4789695
4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4789697
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 3947169
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 18284100
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 25351820
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 51516166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (CID 3603733) is 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is Cn1c(CC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The InChIKey is NTLSIKNBABSWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22-14-5-3-2-4-13(14)19-15(22)10-16(23)20-21-17(24)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide has a molecular weight of 342.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 3603733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).