2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline

C18H20N4O2S — CID 10618259

IUPAC2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N(C)C
InChIInChI=1S/C18H20N4O2S/c1-21(2)15-8-5-4-7-14(15)13-25(23)18-20-11-12-22(18)17-16(24-3)9-6-10-19-17/h4-12H,13H2,1-3H3
InChIKeySKTOAOYIXAAFCQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.65
Rot. Bonds6

About 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline

2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline (PubChem CID 10618259) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
PubChem CID10618259
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N(C)C
InChIInChI=1S/C18H20N4O2S/c1-21(2)15-8-5-4-7-14(15)13-25(23)18-20-11-12-22(18)17-16(24-3)9-6-10-19-17/h4-12H,13H2,1-3H3
InChIKeySKTOAOYIXAAFCQ-UHFFFAOYSA-N
XLogP2.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline (CID 10618259) is 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline is COc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N(C)C.
What is the InChIKey of 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The InChIKey is SKTOAOYIXAAFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21(2)15-8-5-4-7-14(15)13-25(23)18-20-11-12-22(18)17-16(24-3)9-6-10-19-17/h4-12H,13H2,1-3H3.
What are the key properties of 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline has a molecular weight of 356.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10618259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).