2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide

C16H29N3OS — CID 8010770

IUPAC2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C16H29N3OS/c1-7-14(8-2)18-15(20)10-21-16-17-12(5)13(6)19(16)9-11(3)4/h11,14H,7-10H2,1-6H3,(H,18,20)
InChIKeyZMIDKBQXKUCLEC-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.55
Rot. Bonds8

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide (PubChem CID 8010770) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
PubChem CID8010770
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C16H29N3OS/c1-7-14(8-2)18-15(20)10-21-16-17-12(5)13(6)19(16)9-11(3)4/h11,14H,7-10H2,1-6H3,(H,18,20)
InChIKeyZMIDKBQXKUCLEC-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide (CID 8010770) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CSc1nc(C)c(C)n1CC(C)C.
What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The InChIKey is ZMIDKBQXKUCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-7-14(8-2)18-15(20)10-21-16-17-12(5)13(6)19(16)9-11(3)4/h11,14H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide?
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide has a molecular weight of 311.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 8010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).