5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

C14H13BrFN3S — CID 102845779

IUPAC5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H13BrFN3S/c1-8-11(15)6-13(20-8)12-7-18-14(17)19(12)10-4-2-9(16)3-5-10/h2-6,12H,7H2,1H3,(H2,17,18)
InChIKeyIAMUBKOZFDYJFC-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.83
Rot. Bonds2

About 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 102845779) has the molecular formula C14H13BrFN3S and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID102845779
Molecular FormulaC14H13BrFN3S
Molecular Weight354.25 g/mol
Exact Mass353.00
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H13BrFN3S/c1-8-11(15)6-13(20-8)12-7-18-14(17)19(12)10-4-2-9(16)3-5-10/h2-6,12H,7H2,1H3,(H2,17,18)
InChIKeyIAMUBKOZFDYJFC-UHFFFAOYSA-N
XLogP3.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 102845826
5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine
CID 102845790
5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505287
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 102845758
5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 106534625
5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505173
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 102845787
5-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499543
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500344
1-(4-fluorophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine
CID 104824147
5-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79501280

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 102845779) is 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is Cc1sc(C2CN=C(N)N2c2ccc(F)cc2)cc1Br.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is IAMUBKOZFDYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3S/c1-8-11(15)6-13(20-8)12-7-18-14(17)19(12)10-4-2-9(16)3-5-10/h2-6,12H,7H2,1H3,(H2,17,18).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 354.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).