2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide

C21H18Cl2N6O3 — CID 25260754

IUPAC2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NN)c1
InChIInChI=1S/C21H18Cl2N6O3/c1-31-11-9-12(20(30)28-24)16(15(10-11)32-2)18-19(29-8-4-7-25-21(29)27-18)26-17-13(22)5-3-6-14(17)23/h3-10,26H,24H2,1-2H3,(H,28,30)
InChIKeyDBLSRKGMNKTUTM-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.07
Rot. Bonds6

About 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide

2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide (PubChem CID 25260754) has the molecular formula C21H18Cl2N6O3 and a molecular weight of 473.32 g/mol. Its IUPAC name is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide
PubChem CID25260754
Molecular FormulaC21H18Cl2N6O3
Molecular Weight473.32 g/mol
Exact Mass472.08
IUPAC Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NN)c1
InChIInChI=1S/C21H18Cl2N6O3/c1-31-11-9-12(20(30)28-24)16(15(10-11)32-2)18-19(29-8-4-7-25-21(29)27-18)26-17-13(22)5-3-6-14(17)23/h3-10,26H,24H2,1-2H3,(H,28,30)
InChIKeyDBLSRKGMNKTUTM-UHFFFAOYSA-N
XLogP4.07
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide 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-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide (CID 25260754) is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NN)c1.
What is the InChIKey of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide?
The InChIKey is DBLSRKGMNKTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O3/c1-31-11-9-12(20(30)28-24)16(15(10-11)32-2)18-19(29-8-4-7-25-21(29)27-18)26-17-13(22)5-3-6-14(17)23/h3-10,26H,24H2,1-2H3,(H,28,30).
What are the key properties of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide?
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide has a molecular weight of 473.32 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 25260754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).