1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine

C14H18FN3 — CID 106559705

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(F)ccc1-n1ccnc1NCC(C)C
InChIInChI=1S/C14H18FN3/c1-10(2)9-17-14-16-6-7-18(14)13-5-4-12(15)8-11(13)3/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyRITCAZXPWFEUJI-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine

1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106559705) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106559705
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(F)ccc1-n1ccnc1NCC(C)C
InChIInChI=1S/C14H18FN3/c1-10(2)9-17-14-16-6-7-18(14)13-5-4-12(15)8-11(13)3/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyRITCAZXPWFEUJI-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106559705) is 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine is Cc1cc(F)ccc1-n1ccnc1NCC(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is RITCAZXPWFEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)9-17-14-16-6-7-18(14)13-5-4-12(15)8-11(13)3/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106559705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).