N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine

C16H23N3 — CID 116877297

IUPACN-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(C(C)CC)cc2)[nH]1
InChIInChI=1S/C16H23N3/c1-4-12(3)13-6-8-14(9-7-13)15-10-18-16(19-15)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyJTRXXOGVGOJKOR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.70
Rot. Bonds6

About N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine

N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine (PubChem CID 116877297) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
PubChem CID116877297
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(C(C)CC)cc2)[nH]1
InChIInChI=1S/C16H23N3/c1-4-12(3)13-6-8-14(9-7-13)15-10-18-16(19-15)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyJTRXXOGVGOJKOR-UHFFFAOYSA-N
XLogP3.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877341
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512
6-(4-butan-2-ylphenyl)-1H-pyrimidine-2-thione
CID 82085583
N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 123743795
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
CID 111449262
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 111421674
2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 63954065
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine (CID 116877297) is N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccc(C(C)CC)cc2)[nH]1.
What is the InChIKey of N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine?
The InChIKey is JTRXXOGVGOJKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12(3)13-6-8-14(9-7-13)15-10-18-16(19-15)11-17-5-2/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine?
N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 116877297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).