N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide

C13H17N3OS — CID 116621663

IUPACN,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
SMILESCN(C)C(=O)CCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-15(2)12(17)6-3-8-16-9-7-14-13(16)11-5-4-10-18-11/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyMMZHDSRRUBMIPU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds5

About N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide

N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide (PubChem CID 116621663) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
PubChem CID116621663
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
SMILESCN(C)C(=O)CCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-15(2)12(17)6-3-8-16-9-7-14-13(16)11-5-4-10-18-11/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyMMZHDSRRUBMIPU-UHFFFAOYSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide (CID 116621663) is N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide is CN(C)C(=O)CCCn1ccnc1-c1cccs1.
What is the InChIKey of N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide?
The InChIKey is MMZHDSRRUBMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-15(2)12(17)6-3-8-16-9-7-14-13(16)11-5-4-10-18-11/h4-5,7,9-10H,3,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide?
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide has a molecular weight of 263.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide is sourced from PubChem (CID 116621663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).