N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline

C17H18N4OS — CID 10520191

IUPACN,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nccn1-c1cccnc1
InChIInChI=1S/C17H18N4OS/c1-20(2)16-8-4-3-6-14(16)13-23(22)17-19-10-11-21(17)15-7-5-9-18-12-15/h3-12H,13H2,1-2H3
InChIKeyCBECFPXQDIKSGX-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline

N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline (PubChem CID 10520191) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline
PubChem CID10520191
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nccn1-c1cccnc1
InChIInChI=1S/C17H18N4OS/c1-20(2)16-8-4-3-6-14(16)13-23(22)17-19-10-11-21(17)15-7-5-9-18-12-15/h3-12H,13H2,1-2H3
InChIKeyCBECFPXQDIKSGX-UHFFFAOYSA-N
XLogP2.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.64
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-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline (CID 10520191) is N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline is CN(C)c1ccccc1CS(=O)c1nccn1-c1cccnc1.
What is the InChIKey of N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline?
The InChIKey is CBECFPXQDIKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20(2)16-8-4-3-6-14(16)13-23(22)17-19-10-11-21(17)15-7-5-9-18-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline?
N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline has a molecular weight of 326.43 g/mol, XLogP of 2.64, 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-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline is sourced from PubChem (CID 10520191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).