2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide

C25H28ClN5O2 — CID 90321155

IUPAC2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cccc(OCC(N)=O)c1-c1nc2n(c1Nc1c(C)cccc1Cl)C(C)C(C)C=N2
InChIInChI=1S/C25H28ClN5O2/c1-5-17-9-7-11-19(33-13-20(27)32)21(17)23-24(29-22-14(2)8-6-10-18(22)26)31-16(4)15(3)12-28-25(31)30-23/h6-12,15-16,29H,5,13H2,1-4H3,(H2,27,32)
InChIKeyJIABQYWAMUXLQN-UHFFFAOYSA-N
MW465.99 g/mol
LogP5.60
Rot. Bonds7

About 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide

2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide (PubChem CID 90321155) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide
PubChem CID90321155
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cccc(OCC(N)=O)c1-c1nc2n(c1Nc1c(C)cccc1Cl)C(C)C(C)C=N2
InChIInChI=1S/C25H28ClN5O2/c1-5-17-9-7-11-19(33-13-20(27)32)21(17)23-24(29-22-14(2)8-6-10-18(22)26)31-16(4)15(3)12-28-25(31)30-23/h6-12,15-16,29H,5,13H2,1-4H3,(H2,27,32)
InChIKeyJIABQYWAMUXLQN-UHFFFAOYSA-N
XLogP5.60
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-Chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855619
2-[2-[3-(2,6-Dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
CID 67350054
2-[2-[3-(2-Chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67352733
2-[2-[3-(2-Chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
CID 67352885
2-[2-[3-(2,6-Dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide
CID 24854942
2-[2-[3-(2,6-Dichloroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855040
2-[2-[3-(2-Chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855041
2-[2-[3-(2-Chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855088
2-[2-[3-(2,6-Dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855089
2-[2-[5-Chloro-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855090
2-[2-[3-(2,6-Dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
CID 24855140
2-[2-[3-(2-Chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenoxy]acetamide
CID 24855191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide (CID 90321155) is 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide is CCc1cccc(OCC(N)=O)c1-c1nc2n(c1Nc1c(C)cccc1Cl)C(C)C(C)C=N2.
What is the InChIKey of 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide?
The InChIKey is JIABQYWAMUXLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-5-17-9-7-11-19(33-13-20(27)32)21(17)23-24(29-22-14(2)8-6-10-18(22)26)31-16(4)15(3)12-28-25(31)30-23/h6-12,15-16,29H,5,13H2,1-4H3,(H2,27,32).
What are the key properties of 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide?
2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide has a molecular weight of 465.99 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-chloro-6-methylanilino)-5,6-dimethyl-5,6-dihydroimidazo[1,2-a]pyrimidin-2-yl]-3-ethylphenoxy]acetamide is sourced from PubChem (CID 90321155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).