1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C15H19BrN4O2 — CID 168629902

IUPAC1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)c(Br)cc1OC(C)C
InChIInChI=1S/C15H19BrN4O2/c1-9(2)22-14-6-12(16)11(5-13(14)21-4)7-18-20-8-10(3)19-15(20)17/h5-9H,1-4H3,(H2,17,19)
InChIKeyNFYDNIUZQUSEJT-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.21
Rot. Bonds5

About 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629902) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629902
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)c(Br)cc1OC(C)C
InChIInChI=1S/C15H19BrN4O2/c1-9(2)22-14-6-12(16)11(5-13(14)21-4)7-18-20-8-10(3)19-15(20)17/h5-9H,1-4H3,(H2,17,19)
InChIKeyNFYDNIUZQUSEJT-UHFFFAOYSA-N
XLogP3.21
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
CID 168630885
1-[(5-bromo-3-iodo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630534
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
CID 168629899
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenol
CID 168630802
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168629902) is 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1cc(C=Nn2cc(C)nc2N)c(Br)cc1OC(C)C.
What is the InChIKey of 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is NFYDNIUZQUSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-9(2)22-14-6-12(16)11(5-13(14)21-4)7-18-20-8-10(3)19-15(20)17/h5-9H,1-4H3,(H2,17,19).
What are the key properties of 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 367.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).