N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

C18H20N4OS — CID 10759607

IUPACN,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1
InChIInChI=1S/C18H20N4OS/c1-14-8-9-17(20-12-14)22-11-10-19-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyWGLOYXMPOZGDLL-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.95
Rot. Bonds5

About N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (PubChem CID 10759607) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
PubChem CID10759607
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1
InChIInChI=1S/C18H20N4OS/c1-14-8-9-17(20-12-14)22-11-10-19-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyWGLOYXMPOZGDLL-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (CID 10759607) is N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is Cc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The InChIKey is WGLOYXMPOZGDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14-8-9-17(20-12-14)22-11-10-19-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline has a molecular weight of 340.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is sourced from PubChem (CID 10759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).