4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine

C18H20N4O — CID 168629899

IUPAC4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2c(OC(C)C)ccc3ccccc23)c(N)n1
InChIInChI=1S/C18H20N4O/c1-12(2)23-17-9-8-14-6-4-5-7-15(14)16(17)10-20-22-11-13(3)21-18(22)19/h4-12H,1-3H3,(H2,19,21)
InChIKeyFIPQYRUOVFPLIB-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.60
Rot. Bonds4

About 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine

4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine (PubChem CID 168629899) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
PubChem CID168629899
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2c(OC(C)C)ccc3ccccc23)c(N)n1
InChIInChI=1S/C18H20N4O/c1-12(2)23-17-9-8-14-6-4-5-7-15(14)16(17)10-20-22-11-13(3)21-18(22)19/h4-12H,1-3H3,(H2,19,21)
InChIKeyFIPQYRUOVFPLIB-UHFFFAOYSA-N
XLogP3.60
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.60
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-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628519
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629902
1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629869
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
(1R,2S,6R,7S,8S,10S)-4-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98093283
4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
CID 168630428
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
CID 168630371
1-[[2-methoxy-6-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine (CID 168629899) is 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2c(OC(C)C)ccc3ccccc23)c(N)n1.
What is the InChIKey of 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine?
The InChIKey is FIPQYRUOVFPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)23-17-9-8-14-6-4-5-7-15(14)16(17)10-20-22-11-13(3)21-18(22)19/h4-12H,1-3H3,(H2,19,21).
What are the key properties of 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).