chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline

C20H11Br2Cl3N4S — CID 139091899

IUPACchloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline
SMILESBrc1cnc2c(ccc3cc(Br)c(-c4nccn4-c4cccs4)nc32)c1.ClC(Cl)Cl
InChIInChI=1S/C19H10Br2N4S.CHCl3/c20-13-8-11-3-4-12-9-14(21)18(24-17(12)16(11)23-10-13)19-22-5-6-25(19)15-2-1-7-26-15;2-1(3)4/h1-10H;1H
InChIKeyYLLNTQZIUXBZPF-UHFFFAOYSA-N
MW605.57 g/mol
LogP8.21
Rot. Bonds2

About chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline

chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline (PubChem CID 139091899) has the molecular formula C20H11Br2Cl3N4S and a molecular weight of 605.57 g/mol. Its IUPAC name is chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Namechloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline
PubChem CID139091899
Molecular FormulaC20H11Br2Cl3N4S
Molecular Weight605.57 g/mol
Exact Mass601.81
IUPAC Namechloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline
SMILESBrc1cnc2c(ccc3cc(Br)c(-c4nccn4-c4cccs4)nc32)c1.ClC(Cl)Cl
InChIInChI=1S/C19H10Br2N4S.CHCl3/c20-13-8-11-3-4-12-9-14(21)18(24-17(12)16(11)23-10-13)19-22-5-6-25(19)15-2-1-7-26-15;2-1(3)4/h1-10H;1H
InChIKeyYLLNTQZIUXBZPF-UHFFFAOYSA-N
XLogP8.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.57
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(5-Bromo-thiophen-2-ylmethyl)-piperazin-1-yl]-9-methyl-pyrrolo[1,2-a]quinoxaline
CID 10741812
2-(2-(1-Methyl-4-(thiophen-3-yl)-1H-imidazol-2-yl)ethyl)quinoline
CID 54755133
4-[1-(2-thienylmethyl)-1H-imidazol-2-yl]quinoline
CID 56869777
3-Methyl-2-(5-bromothiophen-2-yl)-3h-imidazo-[4,5-f]quinoline
CID 129765085
3,8-Bis(5-bromo-3-methylthiophen-2-yl)-1,10-phenanthroline;chloroform
CID 139091895
3,8-Bis(5-imidazol-1-ylthiophen-2-yl)-1,10-phenanthroline;chloroform
CID 139091897
Chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
CID 139199570
3-Butyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
CID 139199572
3-Butyl-2-(5-thiophen-2-ylthiophen-2-yl)imidazo[4,5-f][1,10]phenanthroline
CID 139199579
3,8-Bis(5-imidazol-1-ylthiophen-2-yl)-1,10-phenanthroline
CID 53343599
6-(4-Methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline
CID 66781144
6-(4-Methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride
CID 67204700

Frequently Asked Questions

What is the IUPAC name of chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline?
The IUPAC name of chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline (CID 139091899) is chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline.
What is the SMILES notation for chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline?
The canonical SMILES for chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline is Brc1cnc2c(ccc3cc(Br)c(-c4nccn4-c4cccs4)nc32)c1.ClC(Cl)Cl.
What is the InChIKey of chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline?
The InChIKey is YLLNTQZIUXBZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Br2N4S.CHCl3/c20-13-8-11-3-4-12-9-14(21)18(24-17(12)16(11)23-10-13)19-22-5-6-25(19)15-2-1-7-26-15;2-1(3)4/h1-10H;1H.
What are the key properties of chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline?
chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline has a molecular weight of 605.57 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;3,8-dibromo-2-(1-thiophen-2-ylimidazol-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 139091899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).