[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid

C28H24Cl2N8O3 — CID 118105975

About [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid

[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid (PubChem CID 118105975) has the molecular formula C28H24Cl2N8O3 and a molecular weight of 591.46 g/mol. Its IUPAC name is [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid.

Molecular Properties

• Compound Name: [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid
• PubChem CID: 118105975
• Molecular Formula: C28H24Cl2N8O3
• Molecular Weight: 591.46 g/mol
• Exact Mass: 590.13
• IUPAC Name: [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid
• SMILES: CC(C)N(C(=O)O)c1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1
• InChI: InChI=1S/C28H24Cl2N8O3/c1-15(2)37(28(40)41)19-6-3-16(4-7-19)25-26(30)33-27(32-25)23-10-8-20-11-17(12-24(39)38(20)23)21-13-18(29)5-9-22(21)36-14-31-34-35-36/h3-7,9,11-15,23H,8,10H2,1-2H3,(H,32,33)(H,40,41)
• InChIKey: ULSQDKXAHQHZEV-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 134.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.46
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid?

The IUPAC name of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid (CID 118105975) is [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid.

What is the SMILES notation for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid?

The canonical SMILES for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)c1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.

What is the InChIKey of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid?

The InChIKey is ULSQDKXAHQHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N8O3/c1-15(2)37(28(40)41)19-6-3-16(4-7-19)25-26(30)33-27(32-25)23-10-8-20-11-17(12-24(39)38(20)23)21-13-18(29)5-9-22(21)36-14-31-34-35-36/h3-7,9,11-15,23H,8,10H2,1-2H3,(H,32,33)(H,40,41).

What are the key properties of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid?

[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid has a molecular weight of 591.46 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]phenyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 118105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).