2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide

C18H25N3OS — CID 46675872

IUPAC2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25N3OS/c1-5-10-19-17(22)14(4)23-18-20-11-12-21(18)16-8-6-15(7-9-16)13(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,19,22)
InChIKeyKQVXUFFTLIFTMR-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.00
Rot. Bonds7

About 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide (PubChem CID 46675872) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
PubChem CID46675872
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25N3OS/c1-5-10-19-17(22)14(4)23-18-20-11-12-21(18)16-8-6-15(7-9-16)13(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,19,22)
InChIKeyKQVXUFFTLIFTMR-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519647
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86907817
N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519612
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-ynylpropanamide
CID 134038367
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
CID 24500840
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
(2R)-2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide
CID 9064495
N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 29485995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide (CID 46675872) is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide is CCCNC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide?
The InChIKey is KQVXUFFTLIFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-5-10-19-17(22)14(4)23-18-20-11-12-21(18)16-8-6-15(7-9-16)13(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,19,22).
What are the key properties of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide?
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide has a molecular weight of 331.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide is sourced from PubChem (CID 46675872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).