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

C11H17N5O2S — CID 70754226

IUPACN-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCc1[nH]cnc1-c1nccn1CCN(C)S(C)(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-9-10(14-8-13-9)11-12-4-5-16(11)7-6-15(2)19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyFUWIZEYEUSZEJH-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.47
Rot. Bonds5

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

N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 70754226) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
PubChem CID70754226
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCc1[nH]cnc1-c1nccn1CCN(C)S(C)(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-9-10(14-8-13-9)11-12-4-5-16(11)7-6-15(2)19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyFUWIZEYEUSZEJH-UHFFFAOYSA-N
XLogP0.47
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide (CID 70754226) is N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide is Cc1[nH]cnc1-c1nccn1CCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is FUWIZEYEUSZEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-9-10(14-8-13-9)11-12-4-5-16(11)7-6-15(2)19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 70754226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).