1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole

C10H16N2OS — CID 97243699

IUPAC1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole
SMILESCn1ccnc1CSC1CCOCC1
InChIInChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)8-14-9-2-6-13-7-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyGEXPIGHSIBSFND-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole

1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole (PubChem CID 97243699) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole
PubChem CID97243699
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole
SMILESCn1ccnc1CSC1CCOCC1
InChIInChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)8-14-9-2-6-13-7-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyGEXPIGHSIBSFND-UHFFFAOYSA-N
XLogP1.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
CID 95841791
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 63015155
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
CID 84590864
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole?
The IUPAC name of 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole (CID 97243699) is 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole.
What is the SMILES notation for 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole?
The canonical SMILES for 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole is Cn1ccnc1CSC1CCOCC1.
What is the InChIKey of 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole?
The InChIKey is GEXPIGHSIBSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)8-14-9-2-6-13-7-3-9/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole?
1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole has a molecular weight of 212.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole is sourced from PubChem (CID 97243699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).