1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

C18H15BrCl2N4O — CID 168630234

IUPAC1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C18H15BrCl2N4O/c1-11-9-25(18(22)24-11)23-8-13-6-14(19)3-5-17(13)26-10-12-2-4-15(20)7-16(12)21/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyLYUUWBBCVOQVMD-UHFFFAOYSA-N
MW454.16 g/mol
LogP5.30
Rot. Bonds5

About 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630234) has the molecular formula C18H15BrCl2N4O and a molecular weight of 454.16 g/mol. Its IUPAC name is 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630234
Molecular FormulaC18H15BrCl2N4O
Molecular Weight454.16 g/mol
Exact Mass451.98
IUPAC Name1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C18H15BrCl2N4O/c1-11-9-25(18(22)24-11)23-8-13-6-14(19)3-5-17(13)26-10-12-2-4-15(20)7-16(12)21/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyLYUUWBBCVOQVMD-UHFFFAOYSA-N
XLogP5.30
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.16
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629803
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630162
6-bromo-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126308669
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630234) is 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(N)n1.
What is the InChIKey of 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is LYUUWBBCVOQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N4O/c1-11-9-25(18(22)24-11)23-8-13-6-14(19)3-5-17(13)26-10-12-2-4-15(20)7-16(12)21/h2-9H,10H2,1H3,(H2,22,24).
What are the key properties of 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 454.16 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).