1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine

C13H12FN3S — CID 79515101

IUPAC1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccsc2)N1c1cccc(F)c1
InChIInChI=1S/C13H12FN3S/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-6,8,12H,7H2,(H2,15,16)
InChIKeyABYGJYUCPISIHN-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine

1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79515101) has the molecular formula C13H12FN3S and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID79515101
Molecular FormulaC13H12FN3S
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccsc2)N1c1cccc(F)c1
InChIInChI=1S/C13H12FN3S/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-6,8,12H,7H2,(H2,15,16)
InChIKeyABYGJYUCPISIHN-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79502343
5-(2-fluorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79515210
5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514500
5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79520573
5-butyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514051
1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500440
5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 106534625
1-cyclopropyl-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
CID 79510301
1-(3-bromophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79501579
5-(5-chloro-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 114867752
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500344
1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 115381645

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine (CID 79515101) is 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccsc2)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is ABYGJYUCPISIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-6,8,12H,7H2,(H2,15,16).
What are the key properties of 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79515101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).