N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide

C14H12ClN5O — CID 63563955

IUPACN-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H12ClN5O/c15-8-5-6-10(20-16)9(7-8)13(21)19-14-17-11-3-1-2-4-12(11)18-14/h1-7,20H,16H2,(H2,17,18,19,21)
InChIKeyFSVLODALLSAWQU-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.75
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide

N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide (PubChem CID 63563955) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
PubChem CID63563955
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H12ClN5O/c15-8-5-6-10(20-16)9(7-8)13(21)19-14-17-11-3-1-2-4-12(11)18-14/h1-7,20H,16H2,(H2,17,18,19,21)
InChIKeyFSVLODALLSAWQU-UHFFFAOYSA-N
XLogP2.75
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-(1H-benzimidazol-2-yl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81245865
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63563952
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951
N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
CID 63565103
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 63565257
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide (CID 63563955) is N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide is NNc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide?
The InChIKey is FSVLODALLSAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-8-5-6-10(20-16)9(7-8)13(21)19-14-17-11-3-1-2-4-12(11)18-14/h1-7,20H,16H2,(H2,17,18,19,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide?
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide has a molecular weight of 301.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 63563955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).