1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C16H21BrN4O2 — CID 168630451

IUPAC1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCOc1c(Br)cc(C=Nn2cc(C)nc2N)cc1OC
InChIInChI=1S/C16H21BrN4O2/c1-4-5-6-23-15-13(17)7-12(8-14(15)22-3)9-19-21-10-11(2)20-16(21)18/h7-10H,4-6H2,1-3H3,(H2,18,20)
InChIKeyYYIWJSGCSHUCHK-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.61
Rot. Bonds7

About 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630451) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630451
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC Name1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCOc1c(Br)cc(C=Nn2cc(C)nc2N)cc1OC
InChIInChI=1S/C16H21BrN4O2/c1-4-5-6-23-15-13(17)7-12(8-14(15)22-3)9-19-21-10-11(2)20-16(21)18/h7-10H,4-6H2,1-3H3,(H2,18,20)
InChIKeyYYIWJSGCSHUCHK-UHFFFAOYSA-N
XLogP3.61
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630950
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168630451) is 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is CCCCOc1c(Br)cc(C=Nn2cc(C)nc2N)cc1OC.
What is the InChIKey of 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is YYIWJSGCSHUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c1-4-5-6-23-15-13(17)7-12(8-14(15)22-3)9-19-21-10-11(2)20-16(21)18/h7-10H,4-6H2,1-3H3,(H2,18,20).
What are the key properties of 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 381.27 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).