N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

C24H24N4O2S — CID 10622627

IUPACN,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1OCc1ccccc1
InChIInChI=1S/C24H24N4O2S/c1-27(2)21-12-7-6-11-20(21)18-31(29)24-26-15-16-28(24)23-22(13-8-14-25-23)30-17-19-9-4-3-5-10-19/h3-16H,17-18H2,1-2H3
InChIKeySILICMKBLHWUSI-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.22
Rot. Bonds8

About N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (PubChem CID 10622627) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
PubChem CID10622627
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1OCc1ccccc1
InChIInChI=1S/C24H24N4O2S/c1-27(2)21-12-7-6-11-20(21)18-31(29)24-26-15-16-28(24)23-22(13-8-14-25-23)30-17-19-9-4-3-5-10-19/h3-16H,17-18H2,1-2H3
InChIKeySILICMKBLHWUSI-UHFFFAOYSA-N
XLogP4.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (CID 10622627) is N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1OCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The InChIKey is SILICMKBLHWUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-27(2)21-12-7-6-11-20(21)18-31(29)24-26-15-16-28(24)23-22(13-8-14-25-23)30-17-19-9-4-3-5-10-19/h3-16H,17-18H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline has a molecular weight of 432.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is sourced from PubChem (CID 10622627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).