methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate

C24H18Cl2N8O3 — CID 71610031

IUPACmethyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(Cn3ccc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]c2Cl)cc1
InChIInChI=1S/C24H18Cl2N8O3/c1-37-24(36)28-17-5-2-14(3-6-17)22-23(26)30-20(29-22)12-33-9-8-15(10-21(33)35)18-11-16(25)4-7-19(18)34-13-27-31-32-34/h2-11,13H,12H2,1H3,(H,28,36)(H,29,30)
InChIKeyZVXQQMYEGMFRPY-UHFFFAOYSA-N
MW537.37 g/mol
LogP4.41
Rot. Bonds6

About methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate

methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate (PubChem CID 71610031) has the molecular formula C24H18Cl2N8O3 and a molecular weight of 537.37 g/mol. Its IUPAC name is methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate
PubChem CID71610031
Molecular FormulaC24H18Cl2N8O3
Molecular Weight537.37 g/mol
Exact Mass536.09
IUPAC Namemethyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(Cn3ccc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]c2Cl)cc1
InChIInChI=1S/C24H18Cl2N8O3/c1-37-24(36)28-17-5-2-14(3-6-17)22-23(26)30-20(29-22)12-33-9-8-15(10-21(33)35)18-11-16(25)4-7-19(18)34-13-27-31-32-34/h2-11,13H,12H2,1H3,(H,28,36)(H,29,30)
InChIKeyZVXQQMYEGMFRPY-UHFFFAOYSA-N
XLogP4.41
TPSA132.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate (CID 71610031) is methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate is COC(=O)Nc1ccc(-c2nc(Cn3ccc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]c2Cl)cc1.
What is the InChIKey of methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate?
The InChIKey is ZVXQQMYEGMFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N8O3/c1-37-24(36)28-17-5-2-14(3-6-17)22-23(26)30-20(29-22)12-33-9-8-15(10-21(33)35)18-11-16(25)4-7-19(18)34-13-27-31-32-34/h2-11,13H,12H2,1H3,(H,28,36)(H,29,30).
What are the key properties of methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate?
methyl N-[4-[5-chloro-2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate has a molecular weight of 537.37 g/mol, XLogP of 4.41, 6 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-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]methyl]-1H-imidazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 71610031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).