1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H13BrN4O — CID 168628488

IUPAC1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(Br)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13BrN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyLJISIDXBZTYDLN-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.43
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628488) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628488
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(Br)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13BrN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyLJISIDXBZTYDLN-UHFFFAOYSA-N
XLogP2.43
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.43
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-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
1-[(5-bromo-3-iodo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630534
1-[(2-methoxy-5-phenylmethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630642
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630162
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenol
CID 168630802
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629902
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628488) is 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc(Br)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is LJISIDXBZTYDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 309.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).