1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine

C13H11Br2N3S — CID 115381645

IUPAC1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2sccc2Br)N1c1cccc(Br)c1
InChIInChI=1S/C13H11Br2N3S/c14-8-2-1-3-9(6-8)18-11(7-17-13(18)16)12-10(15)4-5-19-12/h1-6,11H,7H2,(H2,16,17)
InChIKeyZEYNCTBYPDNREJ-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.15
Rot. Bonds2

About 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 115381645) has the molecular formula C13H11Br2N3S and a molecular weight of 401.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID115381645
Molecular FormulaC13H11Br2N3S
Molecular Weight401.13 g/mol
Exact Mass398.90
IUPAC Name1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2sccc2Br)N1c1cccc(Br)c1
InChIInChI=1S/C13H11Br2N3S/c14-8-2-1-3-9(6-8)18-11(7-17-13(18)16)12-10(15)4-5-19-12/h1-6,11H,7H2,(H2,16,17)
InChIKeyZEYNCTBYPDNREJ-UHFFFAOYSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 115381645) is 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2sccc2Br)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZEYNCTBYPDNREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3S/c14-8-2-1-3-9(6-8)18-11(7-17-13(18)16)12-10(15)4-5-19-12/h1-6,11H,7H2,(H2,16,17).
What are the key properties of 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 401.13 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(3-bromothiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 115381645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).