N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine

C21H17N3S — CID 4046519

IUPACN-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine
SMILESC(=Nn1c(SCc2ccccc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-9-17(10-4-1)15-22-24-20-14-8-7-13-19(20)23-21(24)25-16-18-11-5-2-6-12-18/h1-15H,16H2
InChIKeyUXXIRNNQMKZUST-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.21
Rot. Bonds5

About N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine

N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine (PubChem CID 4046519) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine
PubChem CID4046519
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC NameN-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine
SMILESC(=Nn1c(SCc2ccccc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-9-17(10-4-1)15-22-24-20-14-8-7-13-19(20)23-21(24)25-16-18-11-5-2-6-12-18/h1-15H,16H2
InChIKeyUXXIRNNQMKZUST-UHFFFAOYSA-N
XLogP5.21
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(Z)-benzylideneamino]benzimidazol-2-yl]methanol
CID 5414377
(E)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-methoxyphenyl)methanimine
CID 6863722
ethyl N-[4-amino-1-[(E)-benzylideneamino]-2-benzylsulfanylimidazo[4,5-c]pyridin-6-yl]carbamate
CID 11820712
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine
CID 4196989
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
4-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-N,N-dimethylaniline
CID 78529981
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
CID 6858525
1-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 47094789

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine?
The IUPAC name of N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine (CID 4046519) is N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine?
The canonical SMILES for N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine is C(=Nn1c(SCc2ccccc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine?
The InChIKey is UXXIRNNQMKZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-3-9-17(10-4-1)15-22-24-20-14-8-7-13-19(20)23-21(24)25-16-18-11-5-2-6-12-18/h1-15H,16H2.
What are the key properties of N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine?
N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine has a molecular weight of 343.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 4046519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).