2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine

C18H21N3 — CID 63954065

IUPAC2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H21N3/c1-13(2)10-19-12-18-20-11-17(21-18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21)
InChIKeyIZBUGPHLUUWBMD-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.98
Rot. Bonds5

About 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine

2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 63954065) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID63954065
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H21N3/c1-13(2)10-19-12-18-20-11-17(21-18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21)
InChIKeyIZBUGPHLUUWBMD-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
N-[[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877341
2-methyl-N-[[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 63925969
N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 63925780
3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231002
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148
[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879256
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine (CID 63954065) is 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine is CC(C)CNCc1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is IZBUGPHLUUWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)10-19-12-18-20-11-17(21-18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,13,19H,10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine?
2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63954065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).