5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C12H11Br2N3S2 — CID 102845822

IUPAC5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1Cc1cccs1
InChIInChI=1S/C12H11Br2N3S2/c13-8-4-10(19-11(8)14)9-5-16-12(15)17(9)6-7-2-1-3-18-7/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyNFENTOYALFNHIM-UHFFFAOYSA-N
MW421.18 g/mol
LogP4.21
Rot. Bonds3

About 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 102845822) has the molecular formula C12H11Br2N3S2 and a molecular weight of 421.18 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID102845822
Molecular FormulaC12H11Br2N3S2
Molecular Weight421.18 g/mol
Exact Mass418.88
IUPAC Name5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1Cc1cccs1
InChIInChI=1S/C12H11Br2N3S2/c13-8-4-10(19-11(8)14)9-5-16-12(15)17(9)6-7-2-1-3-18-7/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyNFENTOYALFNHIM-UHFFFAOYSA-N
XLogP4.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 102845822) is 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Br)c(Br)s2)N1Cc1cccs1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NFENTOYALFNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3S2/c13-8-4-10(19-11(8)14)9-5-16-12(15)17(9)6-7-2-1-3-18-7/h1-4,9H,5-6H2,(H2,15,16).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 421.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).