4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline

C22H25ClN4 — CID 87390292

IUPAC4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
SMILESCCN(/N=C(\c1ccccc1Cl)n1ccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25ClN4/c1-5-27(18-12-10-17(11-13-18)22(2,3)4)25-21(26-15-14-24-16-26)19-8-6-7-9-20(19)23/h6-16H,5H2,1-4H3/b25-21+
InChIKeyFCPDSACYEUZSIX-NJNXFGOHSA-N
MW380.92 g/mol
LogP5.57
Rot. Bonds4

About 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline

4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline (PubChem CID 87390292) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
PubChem CID87390292
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
SMILESCCN(/N=C(\c1ccccc1Cl)n1ccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25ClN4/c1-5-27(18-12-10-17(11-13-18)22(2,3)4)25-21(26-15-14-24-16-26)19-8-6-7-9-20(19)23/h6-16H,5H2,1-4H3/b25-21+
InChIKeyFCPDSACYEUZSIX-NJNXFGOHSA-N
XLogP5.57
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
CID 67414712
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-hexylhexan-1-amine
CID 87390015
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine
CID 67412965
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660592

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline?
The IUPAC name of 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline (CID 87390292) is 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline.
What is the SMILES notation for 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline?
The canonical SMILES for 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline is CCN(/N=C(\c1ccccc1Cl)n1ccnc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline?
The InChIKey is FCPDSACYEUZSIX-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H25ClN4/c1-5-27(18-12-10-17(11-13-18)22(2,3)4)25-21(26-15-14-24-16-26)19-8-6-7-9-20(19)23/h6-16H,5H2,1-4H3/b25-21+.
What are the key properties of 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline?
4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline has a molecular weight of 380.92 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline is sourced from PubChem (CID 87390292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).