6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide

C24H27ClN6O — CID 166766309

IUPAC6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide
SMILESC=N/C=C\c1nc(-c2ccc(NCCCCCC(N)=O)nc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C24H27ClN6O/c1-17-21(13-15-27-2)30-24(31(17)20-10-8-19(25)9-11-20)18-7-12-23(29-16-18)28-14-5-3-4-6-22(26)32/h7-13,15-16H,2-6,14H2,1H3,(H2,26,32)(H,28,29)/b15-13-
InChIKeyYZHXKVBWRMUQSZ-SQFISAMPSA-N
MW450.97 g/mol
LogP5.03
Rot. Bonds11

About 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide

6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide (PubChem CID 166766309) has the molecular formula C24H27ClN6O and a molecular weight of 450.97 g/mol. Its IUPAC name is 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide.

Molecular Properties

Compound Name6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide
PubChem CID166766309
Molecular FormulaC24H27ClN6O
Molecular Weight450.97 g/mol
Exact Mass450.19
IUPAC Name6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide
SMILESC=N/C=C\c1nc(-c2ccc(NCCCCCC(N)=O)nc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C24H27ClN6O/c1-17-21(13-15-27-2)30-24(31(17)20-10-8-19(25)9-11-20)18-7-12-23(29-16-18)28-14-5-3-4-6-22(26)32/h7-13,15-16H,2-6,14H2,1H3,(H2,26,32)(H,28,29)/b15-13-
InChIKeyYZHXKVBWRMUQSZ-SQFISAMPSA-N
XLogP5.03
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide?
The IUPAC name of 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide (CID 166766309) is 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide.
What is the SMILES notation for 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide?
The canonical SMILES for 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide is C=N/C=C\c1nc(-c2ccc(NCCCCCC(N)=O)nc2)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide?
The InChIKey is YZHXKVBWRMUQSZ-SQFISAMPSA-N. The full InChI is InChI=1S/C24H27ClN6O/c1-17-21(13-15-27-2)30-24(31(17)20-10-8-19(25)9-11-20)18-7-12-23(29-16-18)28-14-5-3-4-6-22(26)32/h7-13,15-16H,2-6,14H2,1H3,(H2,26,32)(H,28,29)/b15-13-.
What are the key properties of 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide?
6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide has a molecular weight of 450.97 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]amino]hexanamide is sourced from PubChem (CID 166766309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).