2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide

C14H23N5O2S — CID 70765430

IUPAC2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide
SMILESCCCCc1ncc(-c2nccn2CCS(=O)(=O)N(C)C)[nH]1
InChIInChI=1S/C14H23N5O2S/c1-4-5-6-13-16-11-12(17-13)14-15-7-8-19(14)9-10-22(20,21)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyRUMQRQSJLAPUGD-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.51
Rot. Bonds8

About 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide

2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide (PubChem CID 70765430) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide
PubChem CID70765430
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide
SMILESCCCCc1ncc(-c2nccn2CCS(=O)(=O)N(C)C)[nH]1
InChIInChI=1S/C14H23N5O2S/c1-4-5-6-13-16-11-12(17-13)14-15-7-8-19(14)9-10-22(20,21)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyRUMQRQSJLAPUGD-UHFFFAOYSA-N
XLogP1.51
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide (CID 70765430) is 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide is CCCCc1ncc(-c2nccn2CCS(=O)(=O)N(C)C)[nH]1.
What is the InChIKey of 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide?
The InChIKey is RUMQRQSJLAPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-4-5-6-13-16-11-12(17-13)14-15-7-8-19(14)9-10-22(20,21)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide?
2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 70765430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).