2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine

C24H25N3O — CID 167966946

IUPAC2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)NC(Cn2ccnc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H25N3O/c1-18(20-12-13-24(28-2)22-11-7-6-10-21(20)22)26-23(16-27-15-14-25-17-27)19-8-4-3-5-9-19/h3-15,17-18,23,26H,16H2,1-2H3
InChIKeyXCHBHBVRYGTMBN-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.14
Rot. Bonds7

About 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine

2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine (PubChem CID 167966946) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine
PubChem CID167966946
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)NC(Cn2ccnc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H25N3O/c1-18(20-12-13-24(28-2)22-11-7-6-10-21(20)22)26-23(16-27-15-14-25-17-27)19-8-4-3-5-9-19/h3-15,17-18,23,26H,16H2,1-2H3
InChIKeyXCHBHBVRYGTMBN-UHFFFAOYSA-N
XLogP5.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine (CID 167966946) is 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine is COc1ccc(C(C)NC(Cn2ccnc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine?
The InChIKey is XCHBHBVRYGTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18(20-12-13-24(28-2)22-11-7-6-10-21(20)22)26-23(16-27-15-14-25-17-27)19-8-4-3-5-9-19/h3-15,17-18,23,26H,16H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine?
2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine has a molecular weight of 371.48 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 167966946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).