5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol

C11H10Cl2N4O — CID 168630803

IUPAC5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
SMILESCc1cn(N=Cc2cc(O)c(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16)
InChIKeyNYMBVENTZWIPJA-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.67
Rot. Bonds2

About 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol

5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol (PubChem CID 168630803) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol.

Molecular Properties

Compound Name5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
PubChem CID168630803
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
SMILESCc1cn(N=Cc2cc(O)c(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16)
InChIKeyNYMBVENTZWIPJA-UHFFFAOYSA-N
XLogP2.67
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
CID 168630885
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenoxy]acetic acid
CID 168630610
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
ethyl 2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-6-chlorobenzoate
CID 168630024
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol?
The IUPAC name of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol (CID 168630803) is 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol.
What is the SMILES notation for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol?
The canonical SMILES for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol is Cc1cn(N=Cc2cc(O)c(Cl)cc2Cl)c(N)n1.
What is the InChIKey of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol?
The InChIKey is NYMBVENTZWIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16).
What are the key properties of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol?
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol has a molecular weight of 285.13 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol is sourced from PubChem (CID 168630803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).