3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine

C15H21N3 — CID 80544597

IUPAC3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-14)11(2)8-9-16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZQQZAIFGZFDDPM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds5

About 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine

3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 80544597) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID80544597
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-14)11(2)8-9-16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZQQZAIFGZFDDPM-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine (CID 80544597) is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine is CCc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is ZQQZAIFGZFDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-14)11(2)8-9-16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 80544597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).