2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine

C12H9ClN4S — CID 61371231

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(Sc3ccc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C12H9ClN4S/c13-7-1-4-11(15-6-7)18-12-16-9-3-2-8(14)5-10(9)17-12/h1-6H,14H2,(H,16,17)
InChIKeyHWCSJDMFHCVPDW-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.34
Rot. Bonds2

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine (PubChem CID 61371231) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
PubChem CID61371231
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(Sc3ccc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C12H9ClN4S/c13-7-1-4-11(15-6-7)18-12-16-9-3-2-8(14)5-10(9)17-12/h1-6H,14H2,(H,16,17)
InChIKeyHWCSJDMFHCVPDW-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine 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 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine (CID 61371231) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(Sc3ccc(Cl)cn3)[nH]c2c1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine?
The InChIKey is HWCSJDMFHCVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-7-1-4-11(15-6-7)18-12-16-9-3-2-8(14)5-10(9)17-12/h1-6H,14H2,(H,16,17).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine has a molecular weight of 276.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 61371231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).