2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole

C18H16N4O2S2 — CID 22166910

IUPAC2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESCc1cnc(CS(=O)c2nc3cscc3[nH]2)nc1OCc1ccccc1
InChIInChI=1S/C18H16N4O2S2/c1-12-7-19-16(22-17(12)24-8-13-5-3-2-4-6-13)11-26(23)18-20-14-9-25-10-15(14)21-18/h2-7,9-10H,8,11H2,1H3,(H,20,21)
InChIKeyCVHOWKACOGIYQJ-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.61
Rot. Bonds6

About 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole

2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole (PubChem CID 22166910) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
PubChem CID22166910
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESCc1cnc(CS(=O)c2nc3cscc3[nH]2)nc1OCc1ccccc1
InChIInChI=1S/C18H16N4O2S2/c1-12-7-19-16(22-17(12)24-8-13-5-3-2-4-6-13)11-26(23)18-20-14-9-25-10-15(14)21-18/h2-7,9-10H,8,11H2,1H3,(H,20,21)
InChIKeyCVHOWKACOGIYQJ-UHFFFAOYSA-N
XLogP3.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-4-methylsulfanylpyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 22166947
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70481786
2-[[5-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133683
4-pyrrolidin-1-yl-2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidine-5-carbonitrile
CID 22166900
2-[(5-nitro-4-pyrrolidin-1-ylpyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 22166904
N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
CID 22166895
5,6-bis(difluoromethoxy)-2-[(5-methoxy-3-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 54554112
2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 163684206
2-[[4-(difluoromethoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 70279879
2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 54076152
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457
6-(difluoromethoxy)-5-methoxy-2-[(3-methoxy-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 57227839

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole (CID 22166910) is 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole is Cc1cnc(CS(=O)c2nc3cscc3[nH]2)nc1OCc1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The InChIKey is CVHOWKACOGIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-12-7-19-16(22-17(12)24-8-13-5-3-2-4-6-13)11-26(23)18-20-14-9-25-10-15(14)21-18/h2-7,9-10H,8,11H2,1H3,(H,20,21).
What are the key properties of 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole?
2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole has a molecular weight of 384.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 22166910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).