1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine

C12H16ClFN4 — CID 22712335

IUPAC1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine
SMILESCc1c(N2CCN=C2N)cc(Cl)c(F)c1N(C)C
InChIInChI=1S/C12H16ClFN4/c1-7-9(18-5-4-16-12(18)15)6-8(13)10(14)11(7)17(2)3/h6H,4-5H2,1-3H3,(H2,15,16)
InChIKeyFWLYOMRZDAVPQS-UHFFFAOYSA-N
MW270.74 g/mol
LogP1.99
Rot. Bonds2

About 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine

1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 22712335) has the molecular formula C12H16ClFN4 and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine
PubChem CID22712335
Molecular FormulaC12H16ClFN4
Molecular Weight270.74 g/mol
Exact Mass270.10
IUPAC Name1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine
SMILESCc1c(N2CCN=C2N)cc(Cl)c(F)c1N(C)C
InChIInChI=1S/C12H16ClFN4/c1-7-9(18-5-4-16-12(18)15)6-8(13)10(14)11(7)17(2)3/h6H,4-5H2,1-3H3,(H2,15,16)
InChIKeyFWLYOMRZDAVPQS-UHFFFAOYSA-N
XLogP1.99
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine (CID 22712335) is 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine is Cc1c(N2CCN=C2N)cc(Cl)c(F)c1N(C)C.
What is the InChIKey of 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FWLYOMRZDAVPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN4/c1-7-9(18-5-4-16-12(18)15)6-8(13)10(14)11(7)17(2)3/h6H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine?
1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 270.74 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(dimethylamino)-4-fluoro-2-methylphenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 22712335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).