N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide

C17H16N4O2S — CID 40520069

IUPACN'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
SMILESC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11(24-17-18-13-9-5-6-10-14(13)19-17)15(22)20-21-16(23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyIAJDHAGRMOBHQT-LLVKDONJSA-N
MW340.41 g/mol
LogP2.50
Rot. Bonds4

About N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide

N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide (PubChem CID 40520069) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
PubChem CID40520069
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
SMILESC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11(24-17-18-13-9-5-6-10-14(13)19-17)15(22)20-21-16(23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyIAJDHAGRMOBHQT-LLVKDONJSA-N
XLogP2.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]-4-bromobenzohydrazide
CID 15783145
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23886514
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide?
The IUPAC name of N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide (CID 40520069) is N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide is C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide?
The InChIKey is IAJDHAGRMOBHQT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(24-17-18-13-9-5-6-10-14(13)19-17)15(22)20-21-16(23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide?
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide has a molecular weight of 340.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide is sourced from PubChem (CID 40520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).