N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline

C18H19N3S — CID 10828707

IUPACN,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
SMILESCN(C)c1ccccc1CSc1nccn1-c1ccccc1
InChIInChI=1S/C18H19N3S/c1-20(2)17-11-7-6-8-15(17)14-22-18-19-12-13-21(18)16-9-4-3-5-10-16/h3-13H,14H2,1-2H3
InChIKeyXMIKVROERQZIQL-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.23
Rot. Bonds5

About N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline

N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline (PubChem CID 10828707) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
PubChem CID10828707
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
SMILESCN(C)c1ccccc1CSc1nccn1-c1ccccc1
InChIInChI=1S/C18H19N3S/c1-20(2)17-11-7-6-8-15(17)14-22-18-19-12-13-21(18)16-9-4-3-5-10-16/h3-13H,14H2,1-2H3
InChIKeyXMIKVROERQZIQL-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.23
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-phenylimidazol-2-yl)sulfanylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline (CID 10828707) is N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline is CN(C)c1ccccc1CSc1nccn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline?
The InChIKey is XMIKVROERQZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-20(2)17-11-7-6-8-15(17)14-22-18-19-12-13-21(18)16-9-4-3-5-10-16/h3-13H,14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline?
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline has a molecular weight of 309.44 g/mol, XLogP of 4.23, 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-phenylimidazol-2-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 10828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).