N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

C18H20N4OS — CID 10569163

IUPACN,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCc1ccnc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1
InChIInChI=1S/C18H20N4OS/c1-14-8-9-19-17(12-14)22-11-10-20-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyIOGRHGJCBOACKK-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.95
Rot. Bonds5

About N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline

N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (PubChem CID 10569163) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
PubChem CID10569163
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
SMILESCc1ccnc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1
InChIInChI=1S/C18H20N4OS/c1-14-8-9-19-17(12-14)22-11-10-20-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyIOGRHGJCBOACKK-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
1-Benzyl-2-phenyl-6,7-di-hydro-5h-imidazo[2,1-b][1,3]thiazinium bromide
CID 15420790
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
4-ethylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477535
4-[5-(4-Fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10087844
4-[5-(4-Fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
CID 10689819
4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11012474
N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
CID 11014118
N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11035271
4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridine
CID 11822680
4-[5-(4-Fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridine
CID 17938128

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline (CID 10569163) is N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is Cc1ccnc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
The InChIKey is IOGRHGJCBOACKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14-8-9-19-17(12-14)22-11-10-20-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline?
N,N-dimethyl-2-[[1-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline has a molecular weight of 340.45 g/mol, XLogP of 2.95, 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-(4-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline is sourced from PubChem (CID 10569163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).