N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide

C12H19N5O2S — CID 65231693

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2cnc[nH]2)nc1C
InChIInChI=1S/C12H19N5O2S/c1-3-6-17-8-12(16-10(17)2)20(18,19)15-5-4-11-7-13-9-14-11/h7-9,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyHTFHXMBBOSWORA-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.85
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 65231693) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID65231693
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2cnc[nH]2)nc1C
InChIInChI=1S/C12H19N5O2S/c1-3-6-17-8-12(16-10(17)2)20(18,19)15-5-4-11-7-13-9-14-11/h7-9,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyHTFHXMBBOSWORA-UHFFFAOYSA-N
XLogP0.85
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 65231693) is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCc2cnc[nH]2)nc1C.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is HTFHXMBBOSWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-6-17-8-12(16-10(17)2)20(18,19)15-5-4-11-7-13-9-14-11/h7-9,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 65231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).