1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine

C16H17N3 — CID 116876598

IUPAC1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc2cc(-c3cnc(C(C)N)[nH]3)ccc2c1
InChIInChI=1S/C16H17N3/c1-10-3-4-13-8-14(6-5-12(13)7-10)15-9-18-16(19-15)11(2)17/h3-9,11H,17H2,1-2H3,(H,18,19)
InChIKeyMBDNQPHLMNHHPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.56
Rot. Bonds2

About 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine

1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 116876598) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID116876598
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc2cc(-c3cnc(C(C)N)[nH]3)ccc2c1
InChIInChI=1S/C16H17N3/c1-10-3-4-13-8-14(6-5-12(13)7-10)15-9-18-16(19-15)11(2)17/h3-9,11H,17H2,1-2H3,(H,18,19)
InChIKeyMBDNQPHLMNHHPB-UHFFFAOYSA-N
XLogP3.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine (CID 116876598) is 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine is Cc1ccc2cc(-c3cnc(C(C)N)[nH]3)ccc2c1.
What is the InChIKey of 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is MBDNQPHLMNHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-3-4-13-8-14(6-5-12(13)7-10)15-9-18-16(19-15)11(2)17/h3-9,11H,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine?
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 116876598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).