2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine

C17H25N3O — CID 114708232

IUPAC2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCC(C)Oc1cccc(-n2cncc2C(C)(C)NC)c1
InChIInChI=1S/C17H25N3O/c1-6-13(2)21-15-9-7-8-14(10-15)20-12-19-11-16(20)17(3,4)18-5/h7-13,18H,6H2,1-5H3
InChIKeyIXSUCMAIIMFYSH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708232) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708232
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCC(C)Oc1cccc(-n2cncc2C(C)(C)NC)c1
InChIInChI=1S/C17H25N3O/c1-6-13(2)21-15-9-7-8-14(10-15)20-12-19-11-16(20)17(3,4)18-5/h7-13,18H,6H2,1-5H3
InChIKeyIXSUCMAIIMFYSH-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
1-(3-butan-2-yloxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 62329601
3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
CID 17220322
3-butan-2-yloxybenzenediazonium
CID 82972983
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 62327025
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114708232) is 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine is CCC(C)Oc1cccc(-n2cncc2C(C)(C)NC)c1.
What is the InChIKey of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is IXSUCMAIIMFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-13(2)21-15-9-7-8-14(10-15)20-12-19-11-16(20)17(3,4)18-5/h7-13,18H,6H2,1-5H3.
What are the key properties of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).