7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C38H31BrF3IN12O — CID 158710102

About 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 158710102) has the molecular formula C38H31BrF3IN12O and a molecular weight of 935.55 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 158710102
• Molecular Formula: C38H31BrF3IN12O
• Molecular Weight: 935.55 g/mol
• Exact Mass: 934.09
• IUPAC Name: 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: Brc1ccn2ccnc2c1.Cc1cn(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1.Cc1cn(-c2ccn3c(I)cnc3c2)cn1
• InChI: InChI=1S/C20H17F3N6O.C11H9IN4.C7H5BrN2/c1-13-10-28(12-26-13)16-5-6-29-17(9-24-18(29)8-16)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23;1-8-6-15(7-14-8)9-2-3-16-10(12)5-13-11(16)4-9;8-6-1-3-10-4-2-9-7(10)5-6/h2-10,12H,11H2,1H3,(H2,25,27,30);2-7H,1H3;1-5H
• InChIKey: IIPNDFHSPQHNHA-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 128.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.55
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 158710102) is 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Brc1ccn2ccnc2c1.Cc1cn(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1.Cc1cn(-c2ccn3c(I)cnc3c2)cn1.

What is the InChIKey of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is IIPNDFHSPQHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O.C11H9IN4.C7H5BrN2/c1-13-10-28(12-26-13)16-5-6-29-17(9-24-18(29)8-16)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23;1-8-6-15(7-14-8)9-2-3-16-10(12)5-13-11(16)4-9;8-6-1-3-10-4-2-9-7(10)5-6/h2-10,12H,11H2,1H3,(H2,25,27,30);2-7H,1H3;1-5H.

What are the key properties of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 935.55 g/mol, XLogP of 8.71, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 158710102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).