5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide

C11H11ClN4S — CID 62493763

IUPAC5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1nccn1C
InChIInChI=1S/C11H11ClN4S/c1-16-5-4-15-11(16)17-9-3-2-7(12)6-8(9)10(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyALPISRPYIIDKEK-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide

5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide (PubChem CID 62493763) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
PubChem CID62493763
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1nccn1C
InChIInChI=1S/C11H11ClN4S/c1-16-5-4-15-11(16)17-9-3-2-7(12)6-8(9)10(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyALPISRPYIIDKEK-UHFFFAOYSA-N
XLogP2.51
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide 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 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide (CID 62493763) is 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Sc1nccn1C.
What is the InChIKey of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The InChIKey is ALPISRPYIIDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-16-5-4-15-11(16)17-9-3-2-7(12)6-8(9)10(13)14/h2-6H,1H3,(H3,13,14).
What are the key properties of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide has a molecular weight of 266.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 62493763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).