1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine

C20H16ClN5 — CID 118716239

IUPAC1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCc1ccc2nc(Cl)c(/C=N/n3cc(-c4ccccc4)nc3N)cc2c1
InChIInChI=1S/C20H16ClN5/c1-13-7-8-17-15(9-13)10-16(19(21)24-17)11-23-26-12-18(25-20(26)22)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)/b23-11+
InChIKeyNHEDCYPYBFGLLF-FOKLQQMPSA-N
MW361.84 g/mol
LogP4.52
Rot. Bonds3

About 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine

1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 118716239) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine
PubChem CID118716239
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCc1ccc2nc(Cl)c(/C=N/n3cc(-c4ccccc4)nc3N)cc2c1
InChIInChI=1S/C20H16ClN5/c1-13-7-8-17-15(9-13)10-16(19(21)24-17)11-23-26-12-18(25-20(26)22)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)/b23-11+
InChIKeyNHEDCYPYBFGLLF-FOKLQQMPSA-N
XLogP4.52
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine (CID 118716239) is 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine is Cc1ccc2nc(Cl)c(/C=N/n3cc(-c4ccccc4)nc3N)cc2c1.
What is the InChIKey of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is NHEDCYPYBFGLLF-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-13-7-8-17-15(9-13)10-16(19(21)24-17)11-23-26-12-18(25-20(26)22)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)/b23-11+.
What are the key properties of 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 361.84 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 118716239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).