2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

C18H19N3O2 — CID 3071653

IUPAC2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)Cc3cnc[nH]3)c2c1
InChIInChI=1S/C18H19N3O2/c1-23-16-6-5-13-3-2-4-14(17(13)10-16)7-8-20-18(22)9-15-11-19-12-21-15/h2-6,10-12H,7-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNINQVSREDUVPLD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds6

About 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 3071653) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID3071653
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)Cc3cnc[nH]3)c2c1
InChIInChI=1S/C18H19N3O2/c1-23-16-6-5-13-3-2-4-14(17(13)10-16)7-8-20-18(22)9-15-11-19-12-21-15/h2-6,10-12H,7-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNINQVSREDUVPLD-UHFFFAOYSA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 3071653) is 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCNC(=O)Cc3cnc[nH]3)c2c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is NINQVSREDUVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-16-6-5-13-3-2-4-14(17(13)10-16)7-8-20-18(22)9-15-11-19-12-21-15/h2-6,10-12H,7-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 3071653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).