1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine

C16H16N4O — CID 168628492

IUPAC1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc2cc(C=Nn3cc(C)nc3N)ccc2c1
InChIInChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-12-3-4-14-8-15(21-2)6-5-13(14)7-12/h3-10H,1-2H3,(H2,17,19)
InChIKeyWRLWFZKXJITHIR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.82
Rot. Bonds3

About 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine

1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628492) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628492
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc2cc(C=Nn3cc(C)nc3N)ccc2c1
InChIInChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-12-3-4-14-8-15(21-2)6-5-13(14)7-12/h3-10H,1-2H3,(H2,17,19)
InChIKeyWRLWFZKXJITHIR-UHFFFAOYSA-N
XLogP2.82
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.82
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-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
CID 168628769
4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine
CID 5403460
methyl 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-hydroxybenzoate
CID 168628598
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630270
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine (CID 168628492) is 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc2cc(C=Nn3cc(C)nc3N)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is WRLWFZKXJITHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-12-3-4-14-8-15(21-2)6-5-13(14)7-12/h3-10H,1-2H3,(H2,17,19).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine?
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).