N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine

C22H21ClFN5O — CID 129213711

IUPACN-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\c1nc(-c2ccc(N3CCOCC3)nc2)n(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C22H21ClFN5O/c1-15-19(7-8-25-2)27-22(29(15)20-5-4-17(23)13-18(20)24)16-3-6-21(26-14-16)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12H2,1H3/b8-7-
InChIKeyHFMFPFHQFJFYBL-FPLPWBNLSA-N
MW425.90 g/mol
LogP4.54
Rot. Bonds5

About N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine

N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine (PubChem CID 129213711) has the molecular formula C22H21ClFN5O and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine
PubChem CID129213711
Molecular FormulaC22H21ClFN5O
Molecular Weight425.90 g/mol
Exact Mass425.14
IUPAC NameN-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\c1nc(-c2ccc(N3CCOCC3)nc2)n(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C22H21ClFN5O/c1-15-19(7-8-25-2)27-22(29(15)20-5-4-17(23)13-18(20)24)16-3-6-21(26-14-16)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12H2,1H3/b8-7-
InChIKeyHFMFPFHQFJFYBL-FPLPWBNLSA-N
XLogP4.54
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine (CID 129213711) is N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine is C=N/C=C\c1nc(-c2ccc(N3CCOCC3)nc2)n(-c2ccc(Cl)cc2F)c1C.
What is the InChIKey of N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine?
The InChIKey is HFMFPFHQFJFYBL-FPLPWBNLSA-N. The full InChI is InChI=1S/C22H21ClFN5O/c1-15-19(7-8-25-2)27-22(29(15)20-5-4-17(23)13-18(20)24)16-3-6-21(26-14-16)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12H2,1H3/b8-7-.
What are the key properties of N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine?
N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine has a molecular weight of 425.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine is sourced from PubChem (CID 129213711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).