1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H13BrN4 — CID 168628600

IUPAC1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C)c(Br)c2)c(N)n1
InChIInChI=1S/C12H13BrN4/c1-8-3-4-10(5-11(8)13)6-15-17-7-9(2)16-12(17)14/h3-7H,1-2H3,(H2,14,16)
InChIKeyBNJLGLYYDVKIBF-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.73
Rot. Bonds2

About 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628600) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628600
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C)c(Br)c2)c(N)n1
InChIInChI=1S/C12H13BrN4/c1-8-3-4-10(5-11(8)13)6-15-17-7-9(2)16-12(17)14/h3-7H,1-2H3,(H2,14,16)
InChIKeyBNJLGLYYDVKIBF-UHFFFAOYSA-N
XLogP2.73
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
1-[(3-bromo-5-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628683
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629654
1-[[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630950
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]isoindol-1-one
CID 168629695

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628600) is 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(C)c(Br)c2)c(N)n1.
What is the InChIKey of 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is BNJLGLYYDVKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8-3-4-10(5-11(8)13)6-15-17-7-9(2)16-12(17)14/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 293.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).