1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide

C21H23N5O2S — CID 122283840

IUPAC1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)nc1C
InChIInChI=1S/C21H23N5O2S/c1-5-25-13-21(22-16(25)4)29(27,28)24-18-11-17(7-6-15(18)3)19-12-26-9-8-14(2)10-20(26)23-19/h6-13,24H,5H2,1-4H3
InChIKeyXEEYIEAFIAPQTL-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.94
Rot. Bonds5

About 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide (PubChem CID 122283840) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide
PubChem CID122283840
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)nc1C
InChIInChI=1S/C21H23N5O2S/c1-5-25-13-21(22-16(25)4)29(27,28)24-18-11-17(7-6-15(18)3)19-12-26-9-8-14(2)10-20(26)23-19/h6-13,24H,5H2,1-4H3
InChIKeyXEEYIEAFIAPQTL-UHFFFAOYSA-N
XLogP3.94
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide (CID 122283840) is 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide?
The InChIKey is XEEYIEAFIAPQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-5-25-13-21(22-16(25)4)29(27,28)24-18-11-17(7-6-15(18)3)19-12-26-9-8-14(2)10-20(26)23-19/h6-13,24H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide has a molecular weight of 409.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122283840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).