4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide

C22H18N4OS — CID 4033164

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18N4OS/c27-21(26-23-14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-28-22-24-19-8-4-5-9-20(19)25-22/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyQEACTVHRQVBOBL-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.62
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide (PubChem CID 4033164) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
PubChem CID4033164
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18N4OS/c27-21(26-23-14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-28-22-24-19-8-4-5-9-20(19)25-22/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyQEACTVHRQVBOBL-UHFFFAOYSA-N
XLogP4.62
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 6004796
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 3555327
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4675457
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135558333
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-phenylbutanoyl)benzohydrazide
CID 46472312
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 3459224
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide
CID 6520130
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-phenoxyethyl)benzamide
CID 27758091
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
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-(benzylideneamino)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide (CID 4033164) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide is O=C(NN=Cc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide?
The InChIKey is QEACTVHRQVBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(26-23-14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-28-22-24-19-8-4-5-9-20(19)25-22/h1-14H,15H2,(H,24,25)(H,26,27).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide has a molecular weight of 386.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide is sourced from PubChem (CID 4033164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).