4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide

C21H18N4OS — CID 78774579

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H18N4OS/c26-20(25-24-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-27-21-22-18-8-4-5-9-19(18)23-21/h1-13,24H,14H2,(H,22,23)(H,25,26)
InChIKeyMJJVNGWLQHMZGT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.61
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide (PubChem CID 78774579) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
PubChem CID78774579
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H18N4OS/c26-20(25-24-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-27-21-22-18-8-4-5-9-19(18)23-21/h1-13,24H,14H2,(H,22,23)(H,25,26)
InChIKeyMJJVNGWLQHMZGT-UHFFFAOYSA-N
XLogP4.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.61
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

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-phenylbutanoyl)benzohydrazide
CID 46472312
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
CID 29410898
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46525583
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
CID 4033164
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18287085
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-phenoxyethyl)benzamide
CID 27758091
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
CID 42905169
4-acetyl-N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 29410939
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683302

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide (CID 78774579) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide?
The InChIKey is MJJVNGWLQHMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c26-20(25-24-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-27-21-22-18-8-4-5-9-19(18)23-21/h1-13,24H,14H2,(H,22,23)(H,25,26).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide has a molecular weight of 374.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide is sourced from PubChem (CID 78774579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).