1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine

C13H15N3S — CID 170010722

IUPAC1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine
SMILESCSC/C(=N\c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C13H15N3S/c1-11-3-5-12(6-4-11)15-13(9-17-2)16-8-7-14-10-16/h3-8,10H,9H2,1-2H3/b15-13+
InChIKeySQHFRHIGFSHUFC-FYWRMAATSA-N
MW245.35 g/mol
LogP3.13
Rot. Bonds3

About 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine

1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine (PubChem CID 170010722) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine
PubChem CID170010722
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine
SMILESCSC/C(=N\c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C13H15N3S/c1-11-3-5-12(6-4-11)15-13(9-17-2)16-8-7-14-10-16/h3-8,10H,9H2,1-2H3/b15-13+
InChIKeySQHFRHIGFSHUFC-FYWRMAATSA-N
XLogP3.13
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-imidazol-1-yl-2-methylsulfanylethanimine
CID 162681103
1-imidazol-1-yl-N-(4-methylphenyl)ethanimine
CID 162681110
1-imidazol-1-yl-3-methylsulfanylpropan-1-one
CID 22096765
S-methyl imidazole-1-carbothioate
CID 59105486
[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
CID 51341654
1-[2,2-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
1-(1-ethoxyethenyl)imidazole
CID 174806747
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
(2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxobutanoate
CID 7007389

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine?
The IUPAC name of 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine (CID 170010722) is 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine.
What is the SMILES notation for 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine?
The canonical SMILES for 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine is CSC/C(=N\c1ccc(C)cc1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine?
The InChIKey is SQHFRHIGFSHUFC-FYWRMAATSA-N. The full InChI is InChI=1S/C13H15N3S/c1-11-3-5-12(6-4-11)15-13(9-17-2)16-8-7-14-10-16/h3-8,10H,9H2,1-2H3/b15-13+.
What are the key properties of 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine?
1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine has a molecular weight of 245.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine is sourced from PubChem (CID 170010722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).