1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C15H20FN3O — CID 106558864

IUPAC1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-11-8-19(9-13-4-6-14(16)7-5-13)15(17-11)18-12(2)10-20-3/h4-8,12H,9-10H2,1-3H3,(H,17,18)
InChIKeyXVYTYOLJXJTZNO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.83
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106558864) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106558864
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-11-8-19(9-13-4-6-14(16)7-5-13)15(17-11)18-12(2)10-20-3/h4-8,12H,9-10H2,1-3H3,(H,17,18)
InChIKeyXVYTYOLJXJTZNO-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethylphenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574539
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106573869
N-(1-methoxypropan-2-yl)-4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 106569960
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-(2,2-dimethylbutyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583486
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567535
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581065
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580909
1-(3-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106576229
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106558864) is 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)Nc1nc(C)cn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is XVYTYOLJXJTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11-8-19(9-13-4-6-14(16)7-5-13)15(17-11)18-12(2)10-20-3/h4-8,12H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).