2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine

C13H17ClN4 — CID 171482381

IUPAC2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
SMILESCc1nc(-c2cnc(Cl)cc2NC(C)C)[nH]c1C
InChIInChI=1S/C13H17ClN4/c1-7(2)16-11-5-12(14)15-6-10(11)13-17-8(3)9(4)18-13/h5-7H,1-4H3,(H,15,16)(H,17,18)
InChIKeyOICUQHPEQWTYDH-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine

2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine (PubChem CID 171482381) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
PubChem CID171482381
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
SMILESCc1nc(-c2cnc(Cl)cc2NC(C)C)[nH]c1C
InChIInChI=1S/C13H17ClN4/c1-7(2)16-11-5-12(14)15-6-10(11)13-17-8(3)9(4)18-13/h5-7H,1-4H3,(H,15,16)(H,17,18)
InChIKeyOICUQHPEQWTYDH-UHFFFAOYSA-N
XLogP3.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-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-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine (CID 171482381) is 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine is Cc1nc(-c2cnc(Cl)cc2NC(C)C)[nH]c1C.
What is the InChIKey of 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is OICUQHPEQWTYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-7(2)16-11-5-12(14)15-6-10(11)13-17-8(3)9(4)18-13/h5-7H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine?
2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine has a molecular weight of 264.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 171482381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).