chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline

C21H15Cl3N4S — CID 139199570

IUPACchloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
SMILESC=CCn1c(-c2cccs2)nc2c3cccnc3c3ncccc3c21.ClC(Cl)Cl
InChIInChI=1S/C20H14N4S.CHCl3/c1-2-11-24-19-14-7-4-10-22-17(14)16-13(6-3-9-21-16)18(19)23-20(24)15-8-5-12-25-15;2-1(3)4/h2-10,12H,1,11H2;1H
InChIKeyHHGFPDZEVYGWKO-UHFFFAOYSA-N
MW461.81 g/mol
LogP7.03
Rot. Bonds3

About chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline

chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline (PubChem CID 139199570) has the molecular formula C21H15Cl3N4S and a molecular weight of 461.81 g/mol. Its IUPAC name is chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Namechloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
PubChem CID139199570
Molecular FormulaC21H15Cl3N4S
Molecular Weight461.81 g/mol
Exact Mass460.01
IUPAC Namechloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
SMILESC=CCn1c(-c2cccs2)nc2c3cccnc3c3ncccc3c21.ClC(Cl)Cl
InChIInChI=1S/C20H14N4S.CHCl3/c1-2-11-24-19-14-7-4-10-22-17(14)16-13(6-3-9-21-16)18(19)23-20(24)15-8-5-12-25-15;2-1(3)4/h2-10,12H,1,11H2;1H
InChIKeyHHGFPDZEVYGWKO-UHFFFAOYSA-N
XLogP7.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.81
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Agl 2043
CID 9817165
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
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7-(Thiophen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 85933583
3-Phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
CID 16196247
2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530531
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-2-yl-3-pyridinyl)methyl]purine-2,6-diamine;hydrochloride
CID 45483765
6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 122179433
1-Quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134132267
2-[4-(8-Thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
CID 134148617
1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134156928
4-Imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212

Frequently Asked Questions

What is the IUPAC name of chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline (CID 139199570) is chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline is C=CCn1c(-c2cccs2)nc2c3cccnc3c3ncccc3c21.ClC(Cl)Cl.
What is the InChIKey of chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline?
The InChIKey is HHGFPDZEVYGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S.CHCl3/c1-2-11-24-19-14-7-4-10-22-17(14)16-13(6-3-9-21-16)18(19)23-20(24)15-8-5-12-25-15;2-1(3)4/h2-10,12H,1,11H2;1H.
What are the key properties of chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline?
chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline has a molecular weight of 461.81 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;3-prop-2-enyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 139199570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).