N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C15H13ClN4OS — CID 2521362

IUPACN-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cccnc3Cl)[nH]c2c1
InChIInChI=1S/C15H13ClN4OS/c1-9-4-5-10-12(7-9)20-15(19-10)22-8-13(21)18-11-3-2-6-17-14(11)16/h2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyOZVCZXGIUIWDOJ-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.65
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2521362) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2521362
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cccnc3Cl)[nH]c2c1
InChIInChI=1S/C15H13ClN4OS/c1-9-4-5-10-12(7-9)20-15(19-10)22-8-13(21)18-11-3-2-6-17-14(11)16/h2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyOZVCZXGIUIWDOJ-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2521362) is N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)Nc3cccnc3Cl)[nH]c2c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is OZVCZXGIUIWDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-4-5-10-12(7-9)20-15(19-10)22-8-13(21)18-11-3-2-6-17-14(11)16/h2-7H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 332.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2521362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).