2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine

C15H19N3S — CID 67550602

IUPAC2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine
SMILESCc1cccc(C)c1C1CN(c2ncc[nH]2)CCS1
InChIInChI=1S/C15H19N3S/c1-11-4-3-5-12(2)14(11)13-10-18(8-9-19-13)15-16-6-7-17-15/h3-7,13H,8-10H2,1-2H3,(H,16,17)
InChIKeyOWPJVZQSPVFMKG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine

2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine (PubChem CID 67550602) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine
PubChem CID67550602
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine
SMILESCc1cccc(C)c1C1CN(c2ncc[nH]2)CCS1
InChIInChI=1S/C15H19N3S/c1-11-4-3-5-12(2)14(11)13-10-18(8-9-19-13)15-16-6-7-17-15/h3-7,13H,8-10H2,1-2H3,(H,16,17)
InChIKeyOWPJVZQSPVFMKG-UHFFFAOYSA-N
XLogP3.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-1H-imidazole
CID 17804479
2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
CID 13491484
2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 15581127
2-(2,6-diethyl-benzyl)-1H-imidazole
CID 24781869
2-(2,6-Diisopropyl-benzyl)-1H-imidazole
CID 58951824
4-Benzyl-1-[2-(1H-imidazol-2-ylsulfanyl)-ethyl]-piperidine
CID 9972103
4-Benzyl-1-[3-(1H-imidazol-2-ylsulfanyl)-propyl]-piperidine
CID 12045493
2-(2,3-dihydro-4-((methylsulfonyl)methyl)-1H-inden-1-yl)-1H-imidazole
CID 44571840
1H-Imidazole, 1-(2,2-bis(ethylthio)-2-(2-naphthalenyl)ethyl)-
CID 3054134
Demiditraz
CID 24738933
1-[(1-phenyl-3H-2-benzothiophen-1-yl)methyl]imidazole
CID 457012
1-(2-Methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride
CID 12698976

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine (CID 67550602) is 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine is Cc1cccc(C)c1C1CN(c2ncc[nH]2)CCS1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine?
The InChIKey is OWPJVZQSPVFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-4-3-5-12(2)14(11)13-10-18(8-9-19-13)15-16-6-7-17-15/h3-7,13H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine?
2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine has a molecular weight of 273.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine is sourced from PubChem (CID 67550602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).