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

C16H16N4O — CID 168628519

IUPAC1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc2ccccc2c1C=Nn1cc(C)nc1N
InChIInChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-14-13-6-4-3-5-12(13)7-8-15(14)21-2/h3-10H,1-2H3,(H2,17,19)
InChIKeyKJNUTVMBKVQWNB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.82
Rot. Bonds3

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

1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628519) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628519
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc2ccccc2c1C=Nn1cc(C)nc1N
InChIInChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-14-13-6-4-3-5-12(13)7-8-15(14)21-2/h3-10H,1-2H3,(H2,17,19)
InChIKeyKJNUTVMBKVQWNB-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

4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
CID 168629899
1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631211
1-[[2-methoxy-6-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631247
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
1-[(2-methoxy-5-phenylmethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630642
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490
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
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine (CID 168628519) is 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc2ccccc2c1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is KJNUTVMBKVQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-10-20(16(17)19-11)18-9-14-13-6-4-3-5-12(13)7-8-15(14)21-2/h3-10H,1-2H3,(H2,17,19).
What are the key properties of 1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-methoxynaphthalen-1-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-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).