2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one

C43H34Cl4N12O7 — CID 158527856

IUPAC2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NN)c1
InChIInChI=1S/C22H16Cl2N6O4.C21H18Cl2N6O3/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24;1-31-11-9-12(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,1-2H3,(H,29,31);3-10,26H,24H2,1-2H3,(H,28,30)
InChIKeyHMZRNPSEZZKMKC-UHFFFAOYSA-N
MW972.63 g/mol
LogP8.87
Rot. Bonds12

About 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one

2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 158527856) has the molecular formula C43H34Cl4N12O7 and a molecular weight of 972.63 g/mol. Its IUPAC name is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID158527856
Molecular FormulaC43H34Cl4N12O7
Molecular Weight972.63 g/mol
Exact Mass970.14
IUPAC Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)NN)c1
InChIInChI=1S/C22H16Cl2N6O4.C21H18Cl2N6O3/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24;1-31-11-9-12(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,1-2H3,(H,29,31);3-10,26H,24H2,1-2H3,(H,28,30)
InChIKeyHMZRNPSEZZKMKC-UHFFFAOYSA-N
XLogP8.87
TPSA235.37 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.63
LogP ≤ 58.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 25262941
5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 25230471
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide
CID 25260753
2-[3-(2,6-Dichlorophenylamino)imidazo-[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide
CID 25260754
5-[2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 25260909
2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
CID 25260910
5-{2-[3-(2,6-dichlorophenylamino)imidazo[1,2-a]-pyrimidin-2-yl]-3,5-dimethoxyphenyl}-3H-1,3,4-oxadiazol-2-one
CID 25262942
5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25262943
2-[3-(2,6-Dichlorophenylamino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid
CID 59509174
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N'-(2,2-dimethylpropanoyl)-3,5-dimethoxybenzohydrazide
CID 59509180
1-[[2-[3-(2,6-Dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoyl]amino]-3-methylthiourea
CID 59509183
tert-butyl N'-{2-[3-(2,6-dichlorophenylamino)-imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoyl}hydrazinecarboxylate
CID 67542813

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one (CID 158527856) is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one is COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1.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;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is HMZRNPSEZZKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N6O4.C21H18Cl2N6O3/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24;1-31-11-9-12(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,1-2H3,(H,29,31);3-10,26H,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;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzohydrazide;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 972.63 g/mol, XLogP of 8.87, 12 rotatable bonds, 5 hydrogen bond donors, and 17 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;5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 158527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).