2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide

C17H23N3OS — CID 108753044

IUPAC2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C17H23N3OS/c21-16(11-13-5-2-1-3-6-13)18-9-8-14-17(20-12-19-14)15-7-4-10-22-15/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyBXHIVBMMXJXEEJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.77
Rot. Bonds6

About 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide

2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 108753044) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID108753044
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C17H23N3OS/c21-16(11-13-5-2-1-3-6-13)18-9-8-14-17(20-12-19-14)15-7-4-10-22-15/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyBXHIVBMMXJXEEJ-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 70830209

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide (CID 108753044) is 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide is O=C(CC1CCCCC1)NCCc1[nH]cnc1-c1cccs1.
What is the InChIKey of 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is BXHIVBMMXJXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c21-16(11-13-5-2-1-3-6-13)18-9-8-14-17(20-12-19-14)15-7-4-10-22-15/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,18,21)(H,19,20).
What are the key properties of 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 108753044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).