[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine

C16H17N3O — CID 82304830

IUPAC[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1COc1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19-10-13(9-17)18-16(19)11-20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10H,9,11,17H2,1H3
InChIKeyBSQFMZNRHBLIMY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.61
Rot. Bonds4

About [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine

[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine (PubChem CID 82304830) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
PubChem CID82304830
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
SMILESCn1cc(CN)nc1COc1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19-10-13(9-17)18-16(19)11-20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10H,9,11,17H2,1H3
InChIKeyBSQFMZNRHBLIMY-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
CID 75393112
1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
CID 82087938
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
3-(naphthalen-1-yloxymethyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 101129475
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
CID 137403215
4-ethyl-3-methylsulfanyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazole
CID 862872
1-butoxynaphthalene
CID 13262700
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine (CID 82304830) is [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine is Cn1cc(CN)nc1COc1cccc2ccccc12.
What is the InChIKey of [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine?
The InChIKey is BSQFMZNRHBLIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-10-13(9-17)18-16(19)11-20-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10H,9,11,17H2,1H3.
What are the key properties of [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine?
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82304830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).