N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide

C16H21N3OS — CID 50975089

IUPACN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide
SMILESCSCCc1c(-c2ccccc2)ncn1CCNC(C)=O
InChIInChI=1S/C16H21N3OS/c1-13(20)17-9-10-19-12-18-16(15(19)8-11-21-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyRSFYNSKRRIMVGG-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.59
Rot. Bonds7

About N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide

N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide (PubChem CID 50975089) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide
PubChem CID50975089
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide
SMILESCSCCc1c(-c2ccccc2)ncn1CCNC(C)=O
InChIInChI=1S/C16H21N3OS/c1-13(20)17-9-10-19-12-18-16(15(19)8-11-21-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyRSFYNSKRRIMVGG-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole
CID 50982083
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689386
N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide
CID 95455710
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
CID 95142744
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43552920

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide (CID 50975089) is N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide is CSCCc1c(-c2ccccc2)ncn1CCNC(C)=O.
What is the InChIKey of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide?
The InChIKey is RSFYNSKRRIMVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13(20)17-9-10-19-12-18-16(15(19)8-11-21-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide?
N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 50975089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).