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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Related Compounds

1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
CID 14247701
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 75382722
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649

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).