1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine

C19H22FN3S — CID 166546214

IUPAC1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCC(C)c1ccc(-c2ccc(F)cc2CNCc2nccn2C)s1
InChIInChI=1S/C19H22FN3S/c1-13(2)17-6-7-18(24-17)16-5-4-15(20)10-14(16)11-21-12-19-22-8-9-23(19)3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyDWAWAYGFYBHBKV-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.70
Rot. Bonds6

About 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 166546214) has the molecular formula C19H22FN3S and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID166546214
Molecular FormulaC19H22FN3S
Molecular Weight343.47 g/mol
Exact Mass343.15
IUPAC Name1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCC(C)c1ccc(-c2ccc(F)cc2CNCc2nccn2C)s1
InChIInChI=1S/C19H22FN3S/c1-13(2)17-6-7-18(24-17)16-5-4-15(20)10-14(16)11-21-12-19-22-8-9-23(19)3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyDWAWAYGFYBHBKV-UHFFFAOYSA-N
XLogP4.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-[1-[2-Fluoro-4-(4-methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456221
1-[1-[4-(4-Methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456224
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
rac-2-(3-(1-(1H-imidazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884239
1,3-dimethyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906800
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
1-(5,10-Dihydrothieno[2,3-c][2]benzothiepin-10-yl)imidazole
CID 4344806
5-[3-(2-Azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
CID 146170561
1-(4-imidazol-1-ylphenyl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 16284125

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 166546214) is 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is CC(C)c1ccc(-c2ccc(F)cc2CNCc2nccn2C)s1.
What is the InChIKey of 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is DWAWAYGFYBHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3S/c1-13(2)17-6-7-18(24-17)16-5-4-15(20)10-14(16)11-21-12-19-22-8-9-23(19)3/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 343.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 166546214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).