2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide

C18H19N3O2 — CID 57265773

IUPAC2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
SMILESCOc1ccc2ccc(CCn3cnc(CC(N)=O)c3)cc2c1
InChIInChI=1S/C18H19N3O2/c1-23-17-5-4-14-3-2-13(8-15(14)9-17)6-7-21-11-16(20-12-21)10-18(19)22/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,19,22)
InChIKeyOKYPAVWNJRHYBN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds6

About 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide

2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide (PubChem CID 57265773) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
PubChem CID57265773
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
SMILESCOc1ccc2ccc(CCn3cnc(CC(N)=O)c3)cc2c1
InChIInChI=1S/C18H19N3O2/c1-23-17-5-4-14-3-2-13(8-15(14)9-17)6-7-21-11-16(20-12-21)10-18(19)22/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,19,22)
InChIKeyOKYPAVWNJRHYBN-UHFFFAOYSA-N
XLogP2.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide (CID 57265773) is 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide is COc1ccc2ccc(CCn3cnc(CC(N)=O)c3)cc2c1.
What is the InChIKey of 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide?
The InChIKey is OKYPAVWNJRHYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-17-5-4-14-3-2-13(8-15(14)9-17)6-7-21-11-16(20-12-21)10-18(19)22/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,19,22).
What are the key properties of 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide?
2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide is sourced from PubChem (CID 57265773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).