1-(2-methoxyethyl)-5-phenylimidazol-2-amine

C12H15N3O — CID 3160437

IUPAC1-(2-methoxyethyl)-5-phenylimidazol-2-amine
SMILESCOCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C12H15N3O/c1-16-8-7-15-11(9-14-12(15)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,14)
InChIKeyFDYBUMWSPGPHLS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-methoxyethyl)-5-phenylimidazol-2-amine

1-(2-methoxyethyl)-5-phenylimidazol-2-amine (PubChem CID 3160437) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-phenylimidazol-2-amine
PubChem CID3160437
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2-methoxyethyl)-5-phenylimidazol-2-amine
SMILESCOCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C12H15N3O/c1-16-8-7-15-11(9-14-12(15)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,14)
InChIKeyFDYBUMWSPGPHLS-UHFFFAOYSA-N
XLogP1.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-phenylimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-phenylimidazol-2-amine (CID 3160437) is 1-(2-methoxyethyl)-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-phenylimidazol-2-amine is COCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-(2-methoxyethyl)-5-phenylimidazol-2-amine?
The InChIKey is FDYBUMWSPGPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-8-7-15-11(9-14-12(15)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,14).
What are the key properties of 1-(2-methoxyethyl)-5-phenylimidazol-2-amine?
1-(2-methoxyethyl)-5-phenylimidazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-phenylimidazol-2-amine is sourced from PubChem (CID 3160437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).