2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide

C19H30N4OS — CID 55538278

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
SMILESCCCCn1c(SCC(=O)NC2(C#N)CCCCCC2)nc(C)c1C
InChIInChI=1S/C19H30N4OS/c1-4-5-12-23-16(3)15(2)21-18(23)25-13-17(24)22-19(14-20)10-8-6-7-9-11-19/h4-13H2,1-3H3,(H,22,24)
InChIKeyVHMVLWKWUABDSK-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.12
Rot. Bonds7

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide (PubChem CID 55538278) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
PubChem CID55538278
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
SMILESCCCCn1c(SCC(=O)NC2(C#N)CCCCCC2)nc(C)c1C
InChIInChI=1S/C19H30N4OS/c1-4-5-12-23-16(3)15(2)21-18(23)25-13-17(24)22-19(14-20)10-8-6-7-9-11-19/h4-13H2,1-3H3,(H,22,24)
InChIKeyVHMVLWKWUABDSK-UHFFFAOYSA-N
XLogP4.12
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)acetamide
CID 134018035
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51330187
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 65294540
N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
CID 51184480
N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282974
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 36836569
N-(1-cyanocyclopentyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7420948
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
N-(1-cyanocyclopentyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8724118

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide (CID 55538278) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide is CCCCn1c(SCC(=O)NC2(C#N)CCCCCC2)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide?
The InChIKey is VHMVLWKWUABDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-4-5-12-23-16(3)15(2)21-18(23)25-13-17(24)22-19(14-20)10-8-6-7-9-11-19/h4-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide has a molecular weight of 362.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide is sourced from PubChem (CID 55538278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).