1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

C14H18FN3O — CID 106564034

IUPAC1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cccc(F)c1C
InChIInChI=1S/C14H18FN3O/c1-10(9-19-3)17-14-16-7-8-18(14)13-6-4-5-12(15)11(13)2/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyOTGSHRRFXZAZCD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106564034) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106564034
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cccc(F)c1C
InChIInChI=1S/C14H18FN3O/c1-10(9-19-3)17-14-16-7-8-18(14)13-6-4-5-12(15)11(13)2/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyOTGSHRRFXZAZCD-UHFFFAOYSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106564034) is 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1-c1cccc(F)c1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is OTGSHRRFXZAZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(9-19-3)17-14-16-7-8-18(14)13-6-4-5-12(15)11(13)2/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106564034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).