2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline

C14H19N3OS — CID 14994565

IUPAC2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline
SMILESCCc1nc(S(=O)Cc2ccccc2NC)[nH]c1C
InChIInChI=1S/C14H19N3OS/c1-4-12-10(2)16-14(17-12)19(18)9-11-7-5-6-8-13(11)15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyVLWISBXSADRCNL-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.63
Rot. Bonds5

About 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline

2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline (PubChem CID 14994565) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline
PubChem CID14994565
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline
SMILESCCc1nc(S(=O)Cc2ccccc2NC)[nH]c1C
InChIInChI=1S/C14H19N3OS/c1-4-12-10(2)16-14(17-12)19(18)9-11-7-5-6-8-13(11)15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyVLWISBXSADRCNL-UHFFFAOYSA-N
XLogP2.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline?
The IUPAC name of 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline (CID 14994565) is 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline.
What is the SMILES notation for 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline?
The canonical SMILES for 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline is CCc1nc(S(=O)Cc2ccccc2NC)[nH]c1C.
What is the InChIKey of 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline?
The InChIKey is VLWISBXSADRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-12-10(2)16-14(17-12)19(18)9-11-7-5-6-8-13(11)15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline?
2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline has a molecular weight of 277.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfinylmethyl]-N-methylaniline is sourced from PubChem (CID 14994565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).