2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine

C17H25N3 — CID 65231043

IUPAC2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2ccc(CC)cc2)c(C)[nH]1
InChIInChI=1S/C17H25N3/c1-4-6-15(11-18)17-19-12(3)16(20-17)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyUISAPYYINYIRJX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.79
Rot. Bonds6

About 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine

2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65231043) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65231043
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2ccc(CC)cc2)c(C)[nH]1
InChIInChI=1S/C17H25N3/c1-4-6-15(11-18)17-19-12(3)16(20-17)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyUISAPYYINYIRJX-UHFFFAOYSA-N
XLogP3.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (CID 65231043) is 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1nc(-c2ccc(CC)cc2)c(C)[nH]1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is UISAPYYINYIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-6-15(11-18)17-19-12(3)16(20-17)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65231043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).