(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine

C22H24N4S — CID 10248972

IUPAC(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine
SMILESCSc1ccc(C(/C=C/N(C)C)=N/n2cc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H24N4S/c1-17-23-22(18-8-6-5-7-9-18)16-26(17)24-21(14-15-25(2)3)19-10-12-20(27-4)13-11-19/h5-16H,1-4H3/b15-14+,24-21+
InChIKeyOUTYAHCFPZRBMM-ANJOCGSNSA-N
MW376.53 g/mol
LogP4.91
Rot. Bonds6

About (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine

(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine (PubChem CID 10248972) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine
PubChem CID10248972
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine
SMILESCSc1ccc(C(/C=C/N(C)C)=N/n2cc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H24N4S/c1-17-23-22(18-8-6-5-7-9-18)16-26(17)24-21(14-15-25(2)3)19-10-12-20(27-4)13-11-19/h5-16H,1-4H3/b15-14+,24-21+
InChIKeyOUTYAHCFPZRBMM-ANJOCGSNSA-N
XLogP4.91
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine?
The IUPAC name of (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine (CID 10248972) is (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine?
The canonical SMILES for (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine is CSc1ccc(C(/C=C/N(C)C)=N/n2cc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine?
The InChIKey is OUTYAHCFPZRBMM-ANJOCGSNSA-N. The full InChI is InChI=1S/C22H24N4S/c1-17-23-22(18-8-6-5-7-9-18)16-26(17)24-21(14-15-25(2)3)19-10-12-20(27-4)13-11-19/h5-16H,1-4H3/b15-14+,24-21+.
What are the key properties of (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine?
(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine has a molecular weight of 376.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 10248972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).