5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine

C16H15ClFN3 — CID 114455170

IUPAC5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccccc1N1C(N)=NCC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H15ClFN3/c1-10-4-2-3-5-14(10)21-15(9-20-16(21)19)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyDMAKPIBTIABRLP-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.66
Rot. Bonds2

About 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine

5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 114455170) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID114455170
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccccc1N1C(N)=NCC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H15ClFN3/c1-10-4-2-3-5-14(10)21-15(9-20-16(21)19)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyDMAKPIBTIABRLP-UHFFFAOYSA-N
XLogP3.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 114455170) is 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine is Cc1ccccc1N1C(N)=NCC1c1cc(F)cc(Cl)c1.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DMAKPIBTIABRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-10-4-2-3-5-14(10)21-15(9-20-16(21)19)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3,(H2,19,20).
What are the key properties of 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine?
5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 303.77 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114455170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).