N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide

C15H19N3OS — CID 71797179

IUPACN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)C1CCC1
InChIInChI=1S/C15H19N3OS/c1-18-10-12(13-6-3-9-20-13)17-14(18)7-8-16-15(19)11-4-2-5-11/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyLZVLVHYUNGVBJC-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide

N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide (PubChem CID 71797179) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide
PubChem CID71797179
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)C1CCC1
InChIInChI=1S/C15H19N3OS/c1-18-10-12(13-6-3-9-20-13)17-14(18)7-8-16-15(19)11-4-2-5-11/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyLZVLVHYUNGVBJC-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide (CID 71797179) is N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide is Cn1cc(-c2cccs2)nc1CCNC(=O)C1CCC1.
What is the InChIKey of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is LZVLVHYUNGVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-10-12(13-6-3-9-20-13)17-14(18)7-8-16-15(19)11-4-2-5-11/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide?
N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71797179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).