N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide

C17H15ClN4OS — CID 169144936

IUPACN-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
SMILESCSNc1cc(Cl)cc(NC(=O)c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H15ClN4OS/c1-24-22-14-8-12(18)7-13(9-14)20-17(23)16-19-10-15(21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeySWCDWOZTXPIGQH-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.67
Rot. Bonds5

About N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide

N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide (PubChem CID 169144936) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
PubChem CID169144936
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
SMILESCSNc1cc(Cl)cc(NC(=O)c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H15ClN4OS/c1-24-22-14-8-12(18)7-13(9-14)20-17(23)16-19-10-15(21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeySWCDWOZTXPIGQH-UHFFFAOYSA-N
XLogP4.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide (CID 169144936) is N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide is CSNc1cc(Cl)cc(NC(=O)c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The InChIKey is SWCDWOZTXPIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-24-22-14-8-12(18)7-13(9-14)20-17(23)16-19-10-15(21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-phenyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 169144936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).