N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

C20H24N4OS — CID 10690397

IUPACN,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCCN(CC)c1ccccc1CS(=O)c1nccn1-c1ncccc1C
InChIInChI=1S/C20H24N4OS/c1-4-23(5-2)18-11-7-6-10-17(18)15-26(25)20-22-13-14-24(20)19-16(3)9-8-12-21-19/h6-14H,4-5,15H2,1-3H3
InChIKeyYPROIXTUSADDCZ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.73
Rot. Bonds7

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

N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (PubChem CID 10690397) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
PubChem CID10690397
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCCN(CC)c1ccccc1CS(=O)c1nccn1-c1ncccc1C
InChIInChI=1S/C20H24N4OS/c1-4-23(5-2)18-11-7-6-10-17(18)15-26(25)20-22-13-14-24(20)19-16(3)9-8-12-21-19/h6-14H,4-5,15H2,1-3H3
InChIKeyYPROIXTUSADDCZ-UHFFFAOYSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The IUPAC name of N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (CID 10690397) is N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.
What is the SMILES notation for N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The canonical SMILES for N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is CCN(CC)c1ccccc1CS(=O)c1nccn1-c1ncccc1C.
What is the InChIKey of N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The InChIKey is YPROIXTUSADDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-4-23(5-2)18-11-7-6-10-17(18)15-26(25)20-22-13-14-24(20)19-16(3)9-8-12-21-19/h6-14H,4-5,15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline has a molecular weight of 368.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is sourced from PubChem (CID 10690397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).