methyl N-[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]carbamate

C26H20Cl2N8O3 — CID 118131658

IUPACmethyl N-[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]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1
InChIInChI=1S/C26H20Cl2N8O3/c1-39-26(38)30-17-5-2-14(3-6-17)23-24(28)32-25(31-23)21-9-7-18-10-15(11-22(37)36(18)21)19-12-16(27)4-8-20(19)35-13-29-33-34-35/h2-6,8,10-13,21H,7,9H2,1H3,(H,30,38)(H,31,32)
InChIKeyCIWGDPYWDLOQQQ-UHFFFAOYSA-N
MW563.41 g/mol
LogP4.90
Rot. Bonds5

About methyl N-[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]carbamate

methyl N-[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]carbamate (PubChem CID 118131658) has the molecular formula C26H20Cl2N8O3 and a molecular weight of 563.41 g/mol. Its IUPAC name is methyl N-[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]carbamate.

Molecular Properties

Compound Namemethyl N-[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]carbamate
PubChem CID118131658
Molecular FormulaC26H20Cl2N8O3
Molecular Weight563.41 g/mol
Exact Mass562.10
IUPAC Namemethyl N-[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]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1
InChIInChI=1S/C26H20Cl2N8O3/c1-39-26(38)30-17-5-2-14(3-6-17)23-24(28)32-25(31-23)21-9-7-18-10-15(11-22(37)36(18)21)19-12-16(27)4-8-20(19)35-13-29-33-34-35/h2-6,8,10-13,21H,7,9H2,1H3,(H,30,38)(H,31,32)
InChIKeyCIWGDPYWDLOQQQ-UHFFFAOYSA-N
XLogP4.90
TPSA132.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-[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]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[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]carbamate?
The IUPAC name of methyl N-[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]carbamate (CID 118131658) is methyl N-[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]carbamate.
What is the SMILES notation for methyl N-[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]carbamate?
The canonical SMILES for methyl N-[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]carbamate is COC(=O)Nc1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cc1.
What is the InChIKey of methyl N-[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]carbamate?
The InChIKey is CIWGDPYWDLOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N8O3/c1-39-26(38)30-17-5-2-14(3-6-17)23-24(28)32-25(31-23)21-9-7-18-10-15(11-22(37)36(18)21)19-12-16(27)4-8-20(19)35-13-29-33-34-35/h2-6,8,10-13,21H,7,9H2,1H3,(H,30,38)(H,31,32).
What are the key properties of methyl N-[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]carbamate?
methyl N-[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]carbamate has a molecular weight of 563.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[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]carbamate is sourced from PubChem (CID 118131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).