N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide

C13H15N3OS — CID 77093532

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ncc(C)[nH]1
InChIInChI=1S/C13H15N3OS/c1-9-7-14-12(16-9)8-15-13(17)10-5-3-4-6-11(10)18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJNQQMEGBGYBANL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.37
Rot. Bonds4

About N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide

N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide (PubChem CID 77093532) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
PubChem CID77093532
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ncc(C)[nH]1
InChIInChI=1S/C13H15N3OS/c1-9-7-14-12(16-9)8-15-13(17)10-5-3-4-6-11(10)18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJNQQMEGBGYBANL-UHFFFAOYSA-N
XLogP2.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide (CID 77093532) is N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ncc(C)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is JNQQMEGBGYBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-7-14-12(16-9)8-15-13(17)10-5-3-4-6-11(10)18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide?
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 77093532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).