bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one

C79H67Cl8F2N15O12S2 — CID 160905183

About bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one

bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one (PubChem CID 160905183) has the molecular formula C79H67Cl8F2N15O12S2 and a molecular weight of 1804.25 g/mol. Its IUPAC name is bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one.

Molecular Properties

• Compound Name: bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one
• PubChem CID: 160905183
• Molecular Formula: C79H67Cl8F2N15O12S2
• Molecular Weight: 1804.25 g/mol
• Exact Mass: 1799.20
• IUPAC Name: bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one
• SMILES: CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.O=C(Cl)N1CCN(c2ccccc2)C1=O.O=C(Cl)N1CCN(c2ccccc2)C1=O.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.O=C1NCCN1c1ccccc1
• InChI: InChI=1S/C29H24FN5O3S.C18H15FN4OS.2C10H9ClN2O2.C9H10N2O.C3Cl6O3/c1-2-33-17-23(32-18-33)26-16-22-28(39-26)25(10-11-31-22)38-24-9-8-19(14-21(24)30)15-27(36)35-13-12-34(29(35)37)20-6-4-3-5-7-20;1-2-23-9-14(22-10-23)17-8-13-18(25-17)16(5-6-21-13)24-15-4-3-11(20)7-12(15)19;2*11-9(14)13-7-6-12(10(13)15)8-4-2-1-3-5-8;12-9-10-6-7-11(9)8-4-2-1-3-5-8;4-2(5,6)11-1(10)12-3(7,8)9/h3-11,14,16-18H,2,12-13,15H2,1H3;3-10H,2,20H2,1H3;2*1-5H,6-7H2;1-5H,6-7H2,(H,10,12)
• InChIKey: SQAUIYZCXWKMIV-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 295.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.25
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one?

The IUPAC name of bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one (CID 160905183) is bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one.

What is the SMILES notation for bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one?

The canonical SMILES for bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one is CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.O=C(Cl)N1CCN(c2ccccc2)C1=O.O=C(Cl)N1CCN(c2ccccc2)C1=O.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.O=C1NCCN1c1ccccc1.

What is the InChIKey of bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one?

The InChIKey is SQAUIYZCXWKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O3S.C18H15FN4OS.2C10H9ClN2O2.C9H10N2O.C3Cl6O3/c1-2-33-17-23(32-18-33)26-16-22-28(39-26)25(10-11-31-22)38-24-9-8-19(14-21(24)30)15-27(36)35-13-12-34(29(35)37)20-6-4-3-5-7-20;1-2-23-9-14(22-10-23)17-8-13-18(25-17)16(5-6-21-13)24-15-4-3-11(20)7-12(15)19;2*11-9(14)13-7-6-12(10(13)15)8-4-2-1-3-5-8;12-9-10-6-7-11(9)8-4-2-1-3-5-8;4-2(5,6)11-1(10)12-3(7,8)9/h3-11,14,16-18H,2,12-13,15H2,1H3;3-10H,2,20H2,1H3;2*1-5H,6-7H2;1-5H,6-7H2,(H,10,12);.

What are the key properties of bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one?

bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one has a molecular weight of 1804.25 g/mol, XLogP of 20.40, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one is sourced from PubChem (CID 160905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).