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

C26H26Cl2N6O4 — CID 59509180

IUPAC2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NNC(=O)C(C)(C)C)c1
InChIInChI=1S/C26H26Cl2N6O4/c1-26(2,3)24(36)33-32-23(35)15-12-14(37-4)13-18(38-5)19(15)21-22(34-11-7-10-29-25(34)31-21)30-20-16(27)8-6-9-17(20)28/h6-13,30H,1-5H3,(H,32,35)(H,33,36)
InChIKeyAFSSAPOPMOXWCB-UHFFFAOYSA-N
MW557.44 g/mol
LogP5.27
Rot. Bonds6

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

2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide (PubChem CID 59509180) has the molecular formula C26H26Cl2N6O4 and a molecular weight of 557.44 g/mol. Its IUPAC name is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide
PubChem CID59509180
Molecular FormulaC26H26Cl2N6O4
Molecular Weight557.44 g/mol
Exact Mass556.14
IUPAC Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NNC(=O)C(C)(C)C)c1
InChIInChI=1S/C26H26Cl2N6O4/c1-26(2,3)24(36)33-32-23(35)15-12-14(37-4)13-18(38-5)19(15)21-22(34-11-7-10-29-25(34)31-21)30-20-16(27)8-6-9-17(20)28/h6-13,30H,1-5H3,(H,32,35)(H,33,36)
InChIKeyAFSSAPOPMOXWCB-UHFFFAOYSA-N
XLogP5.27
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.44
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide?
The IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide (CID 59509180) is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide?
The canonical SMILES for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide is COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NNC(=O)C(C)(C)C)c1.
What is the InChIKey of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide?
The InChIKey is AFSSAPOPMOXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O4/c1-26(2,3)24(36)33-32-23(35)15-12-14(37-4)13-18(38-5)19(15)21-22(34-11-7-10-29-25(34)31-21)30-20-16(27)8-6-9-17(20)28/h6-13,30H,1-5H3,(H,32,35)(H,33,36).
What are the key properties of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide?
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide has a molecular weight of 557.44 g/mol, XLogP of 5.27, 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]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 59509180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).