1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine

C16H17N3O — CID 62998840

IUPAC1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
SMILESCOc1ccc2ccccc2c1CNCc1cnc[nH]1
InChIInChI=1S/C16H17N3O/c1-20-16-7-6-12-4-2-3-5-14(12)15(16)10-17-8-13-9-18-11-19-13/h2-7,9,11,17H,8,10H2,1H3,(H,18,19)
InChIKeyDBJHIIKZIYGQIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.86
Rot. Bonds5

About 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine

1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine (PubChem CID 62998840) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
PubChem CID62998840
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
SMILESCOc1ccc2ccccc2c1CNCc1cnc[nH]1
InChIInChI=1S/C16H17N3O/c1-20-16-7-6-12-4-2-3-5-14(12)15(16)10-17-8-13-9-18-11-19-13/h2-7,9,11,17H,8,10H2,1H3,(H,18,19)
InChIKeyDBJHIIKZIYGQIF-UHFFFAOYSA-N
XLogP2.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine (CID 62998840) is 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine is COc1ccc2ccccc2c1CNCc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine?
The InChIKey is DBJHIIKZIYGQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-7-6-12-4-2-3-5-14(12)15(16)10-17-8-13-9-18-11-19-13/h2-7,9,11,17H,8,10H2,1H3,(H,18,19).
What are the key properties of 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine?
1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine is sourced from PubChem (CID 62998840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).