N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide

C19H20N4OS — CID 110523076

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4OS/c1-12(2)25-19-21-16-9-8-15(10-17(16)22-19)18(24)23-20-11-14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,21,22)(H,23,24)/b20-11-
InChIKeyOKKHSUFNGGQMEG-JAIQZWGSSA-N
MW352.46 g/mol
LogP4.14
Rot. Bonds5

About N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide

N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide (PubChem CID 110523076) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
PubChem CID110523076
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4OS/c1-12(2)25-19-21-16-9-8-15(10-17(16)22-19)18(24)23-20-11-14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,21,22)(H,23,24)/b20-11-
InChIKeyOKKHSUFNGGQMEG-JAIQZWGSSA-N
XLogP4.14
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.14
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'}

Analyze N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide 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

N-[(Z)-(2-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
CID 110523066
2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687
N-[(Z)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
CID 110523018
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685
2-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 171663377
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 136781386
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781320
[4-[(Z)-[(2-benzyl-3H-benzimidazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 110526655
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110526518
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526638

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide (CID 110523076) is N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide is Cc1ccc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide?
The InChIKey is OKKHSUFNGGQMEG-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12(2)25-19-21-16-9-8-15(10-17(16)22-19)18(24)23-20-11-14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,21,22)(H,23,24)/b20-11-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110523076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).