3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C15H21N3O — CID 116877168

IUPAC3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1ccccc1-c1cnc(C(C)(C)CCN)[nH]1
InChIInChI=1S/C15H21N3O/c1-15(2,8-9-16)14-17-10-12(18-14)11-6-4-5-7-13(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyDGWJHETZHNFRTK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds5

About 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 116877168) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID116877168
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1ccccc1-c1cnc(C(C)(C)CCN)[nH]1
InChIInChI=1S/C15H21N3O/c1-15(2,8-9-16)14-17-10-12(18-14)11-6-4-5-7-13(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyDGWJHETZHNFRTK-UHFFFAOYSA-N
XLogP2.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 116877168) is 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is COc1ccccc1-c1cnc(C(C)(C)CCN)[nH]1.
What is the InChIKey of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is DGWJHETZHNFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,8-9-16)14-17-10-12(18-14)11-6-4-5-7-13(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 116877168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).