N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine

C18H20N4O2S — CID 166178985

IUPACN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
SMILESCOc1cc(CNc2ccc(-n3ccnc3)nc2)c(SC)cc1OC
InChIInChI=1S/C18H20N4O2S/c1-23-15-8-13(17(25-3)9-16(15)24-2)10-20-14-4-5-18(21-11-14)22-7-6-19-12-22/h4-9,11-12,20H,10H2,1-3H3
InChIKeyFNZHBXSYPFQCDL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.62
Rot. Bonds7

About N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine (PubChem CID 166178985) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
PubChem CID166178985
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
SMILESCOc1cc(CNc2ccc(-n3ccnc3)nc2)c(SC)cc1OC
InChIInChI=1S/C18H20N4O2S/c1-23-15-8-13(17(25-3)9-16(15)24-2)10-20-14-4-5-18(21-11-14)22-7-6-19-12-22/h4-9,11-12,20H,10H2,1-3H3
InChIKeyFNZHBXSYPFQCDL-UHFFFAOYSA-N
XLogP3.62
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202852
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-methylbenzotriazol-5-amine
CID 126822018
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 62762109
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine (CID 166178985) is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine is COc1cc(CNc2ccc(-n3ccnc3)nc2)c(SC)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The InChIKey is FNZHBXSYPFQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-15-8-13(17(25-3)9-16(15)24-2)10-20-14-4-5-18(21-11-14)22-7-6-19-12-22/h4-9,11-12,20H,10H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine?
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine has a molecular weight of 356.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 166178985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).