bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone

C131H169B2Br5ClIN8O7 — CID 158268210

About bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone

bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone (PubChem CID 158268210) has the molecular formula C131H169B2Br5ClIN8O7 and a molecular weight of 2551.34 g/mol. Its IUPAC name is bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
• PubChem CID: 158268210
• Molecular Formula: C131H169B2Br5ClIN8O7
• Molecular Weight: 2551.34 g/mol
• Exact Mass: 2544.80
• IUPAC Name: bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
• SMILES: CB(O)O.CBr.CBr.CBr.CBr.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1ccccc1-c1ccccc1.CC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1.CC(=O)c1ccccc1Br.Clc1c(-c2ccccc2-c2ccccc2)nc2ccccn12.Ic1ccccc1.Nc1ccccn1.c1ccc2c(c1)c1ccccc1c1c2nc2ccccn21.c1ccc2c(c1)c1ccccc1c1c2nc2ccccn21
• InChI: InChI=1S/C19H13ClN2.2C19H12N2.C14H19BO3.C14H12O.C8H7BrO.C6H5I.C5H6N2.11C2H6.CH5BO2.4CH3Br/c20-19-18(21-17-12-6-7-13-22(17)19)16-11-5-4-10-15(16)14-8-2-1-3-9-14;2*1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-18(15)20-17-11-5-6-12-21(17)19;1-10(16)11-8-6-7-9-12(11)15-17-13(2,3)14(4,5)18-15;1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12;1-6(10)7-4-2-3-5-8(7)9;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;11*1-2;1-2(3)4;4*1-2/h1-13H;2*1-12H;6-9H,1-5H3;2-10H,1H3;2-5H,1H3;1-5H;1-4H,(H2,6,7);11*1-2H3;3-4H,1H3;4*1H3
• InChIKey: GISGIWWKXPMKHN-UHFFFAOYSA-N
• XLogP: 40.68
• TPSA: 200.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.34
LogP ≤ 5	40.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone?

The IUPAC name of bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone (CID 158268210) is bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone.

What is the SMILES notation for bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone?

The canonical SMILES for bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone is CB(O)O.CBr.CBr.CBr.CBr.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1ccccc1-c1ccccc1.CC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1.CC(=O)c1ccccc1Br.Clc1c(-c2ccccc2-c2ccccc2)nc2ccccn12.Ic1ccccc1.Nc1ccccn1.c1ccc2c(c1)c1ccccc1c1c2nc2ccccn21.c1ccc2c(c1)c1ccccc1c1c2nc2ccccn21.

What is the InChIKey of bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone?

The InChIKey is GISGIWWKXPMKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2.2C19H12N2.C14H19BO3.C14H12O.C8H7BrO.C6H5I.C5H6N2.11C2H6.CH5BO2.4CH3Br/c20-19-18(21-17-12-6-7-13-22(17)19)16-11-5-4-10-15(16)14-8-2-1-3-9-14;2*1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-18(15)20-17-11-5-6-12-21(17)19;1-10(16)11-8-6-7-9-12(11)15-17-13(2,3)14(4,5)18-15;1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12;1-6(10)7-4-2-3-5-8(7)9;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;11*1-2;1-2(3)4;4*1-2/h1-13H;2*1-12H;6-9H,1-5H3;2-10H,1H3;2-5H,1H3;1-5H;1-4H,(H2,6,7);11*1-2H3;3-4H,1H3;4*1H3.

What are the key properties of bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone?

bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone has a molecular weight of 2551.34 g/mol, XLogP of 40.68, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bromomethane;1-(2-bromophenyl)ethanone;3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine;bis(15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene);ethane;iodobenzene;methylboronic acid;1-(2-phenylphenyl)ethanone;pyridin-2-amine;1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone is sourced from PubChem (CID 158268210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).