2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline

C19H22N4O2S — CID 10571203

IUPAC2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1cc(C)nc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4O2S/c1-14-11-16(25-4)12-18(21-14)23-10-9-20-19(23)26(24)13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3
InChIKeyKSPZWFCHYDBBQS-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.96
Rot. Bonds6

About 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline

2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline (PubChem CID 10571203) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
PubChem CID10571203
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1cc(C)nc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4O2S/c1-14-11-16(25-4)12-18(21-14)23-10-9-20-19(23)26(24)13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3
InChIKeyKSPZWFCHYDBBQS-UHFFFAOYSA-N
XLogP2.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline (CID 10571203) is 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline is COc1cc(C)nc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
The InChIKey is KSPZWFCHYDBBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-11-16(25-4)12-18(21-14)23-10-9-20-19(23)26(24)13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3.
What are the key properties of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline?
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline has a molecular weight of 370.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10571203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).