1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

C18H20N4O2S — CID 168629278

IUPAC1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)cc1CSCc1ccco1
InChIInChI=1S/C18H20N4O2S/c1-13-10-22(18(19)21-13)20-9-14-5-6-17(23-2)15(8-14)11-25-12-16-4-3-7-24-16/h3-10H,11-12H2,1-2H3,(H2,19,21)
InChIKeyHPQKLKYGJWRIJS-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.69
Rot. Bonds7

About 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629278) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629278
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)cc1CSCc1ccco1
InChIInChI=1S/C18H20N4O2S/c1-13-10-22(18(19)21-13)20-9-14-5-6-17(23-2)15(8-14)11-25-12-16-4-3-7-24-16/h3-10H,11-12H2,1-2H3,(H2,19,21)
InChIKeyHPQKLKYGJWRIJS-UHFFFAOYSA-N
XLogP3.69
TPSA78.57 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626333
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630270
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629441
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629278) is 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is COc1ccc(C=Nn2cc(C)nc2N)cc1CSCc1ccco1.
What is the InChIKey of 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is HPQKLKYGJWRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-10-22(18(19)21-13)20-9-14-5-6-17(23-2)15(8-14)11-25-12-16-4-3-7-24-16/h3-10H,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 356.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).