2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline

C24H23N3S — CID 10500324

IUPAC2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CSc1ncc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H23N3S/c1-26(2)22-16-10-9-13-20(22)18-28-24-25-17-23(19-11-5-3-6-12-19)27(24)21-14-7-4-8-15-21/h3-17H,18H2,1-2H3
InChIKeyAISSOFSMPGTJDP-UHFFFAOYSA-N
MW385.54 g/mol
LogP5.90
Rot. Bonds6

About 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline

2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline (PubChem CID 10500324) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
PubChem CID10500324
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC Name2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CSc1ncc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H23N3S/c1-26(2)22-16-10-9-13-20(22)18-28-24-25-17-23(19-11-5-3-6-12-19)27(24)21-14-7-4-8-15-21/h3-17H,18H2,1-2H3
InChIKeyAISSOFSMPGTJDP-UHFFFAOYSA-N
XLogP5.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
3-[(2-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841245
methyl (2S)-2-[[2-(1,5-diphenylimidazol-2-yl)sulfanylacetyl]amino]-4-methylpentanoate
CID 40964364
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 56795371
2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10525202
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide
CID 9465156
3-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole
CID 3838840
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
5-(4-chlorophenyl)-1-methyl-2-(naphthalen-1-ylmethylsulfanyl)imidazole
CID 30299815
2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 18208318
3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
CID 38969761
2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10521004

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline (CID 10500324) is 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline is CN(C)c1ccccc1CSc1ncc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline?
The InChIKey is AISSOFSMPGTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-26(2)22-16-10-9-13-20(22)18-28-24-25-17-23(19-11-5-3-6-12-19)27(24)21-14-7-4-8-15-21/h3-17H,18H2,1-2H3.
What are the key properties of 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline?
2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline has a molecular weight of 385.54 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10500324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).