1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

C19H20FN3S — CID 47030538

IUPAC1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(15-5-7-16(20)8-6-15)22-13-14-3-9-17(24-2)10-4-14/h3-12,18,22H,13H2,1-2H3
InChIKeyYMXLZPRLOCGPSR-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.16
Rot. Bonds6

About 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (PubChem CID 47030538) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
PubChem CID47030538
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(15-5-7-16(20)8-6-15)22-13-14-3-9-17(24-2)10-4-14/h3-12,18,22H,13H2,1-2H3
InChIKeyYMXLZPRLOCGPSR-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-Fluoro-phenyl)-3-methyl-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine
CID 20674619
1-[1-[2-Fluoro-4-(4-methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456221
4-[5-(4-Fluoro-phenyl)-1-methyl-2-(4-methylsulfanyl-phenyl)-1H-imidazol-4-yl]-pyridine
CID 44319681
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
1-(6,11-Dihydrobenzo[c][1]benzothiepin-11-yl)imidazole
CID 4453141
(3-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanamine
CID 16226824
(2-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanamine
CID 16226825
1-methyl-N-[4-(methylsulfanyl)benzyl]-5-phenyl-1H-imidazol-2-amine
CID 3398642
1-(1-(4''-(Methylsulfanyl)biphenyl-4-yl)propyl)-1H-imidazole
CID 44587318
5-(4-Methylsulfanylphenyl)-1-octylimidazol-2-amine
CID 50941071
N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 53557161
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 71916239

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (CID 47030538) is 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is CSc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The InChIKey is YMXLZPRLOCGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(15-5-7-16(20)8-6-15)22-13-14-3-9-17(24-2)10-4-14/h3-12,18,22H,13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is sourced from PubChem (CID 47030538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).