N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline

C19H21N3OS — CID 10497316

IUPACN,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc(-c2ccccc2)cn1C
InChIInChI=1S/C19H21N3OS/c1-21(2)18-12-8-7-11-16(18)14-24(23)19-20-17(13-22(19)3)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyXQNLEAABDFAJEY-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.46
Rot. Bonds5

About N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline

N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline (PubChem CID 10497316) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline
PubChem CID10497316
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nc(-c2ccccc2)cn1C
InChIInChI=1S/C19H21N3OS/c1-21(2)18-12-8-7-11-16(18)14-24(23)19-20-17(13-22(19)3)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKeyXQNLEAABDFAJEY-UHFFFAOYSA-N
XLogP3.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline (CID 10497316) is N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline is CN(C)c1ccccc1CS(=O)c1nc(-c2ccccc2)cn1C.
What is the InChIKey of N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline?
The InChIKey is XQNLEAABDFAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21(2)18-12-8-7-11-16(18)14-24(23)19-20-17(13-22(19)3)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline?
N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline has a molecular weight of 339.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline is sourced from PubChem (CID 10497316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).