3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine

C15H19N3O2 — CID 62224312

IUPAC3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
SMILESCOc1cc(OC)cc(-c2nc(C)n(C3CC3)c2N)c1
InChIInChI=1S/C15H19N3O2/c1-9-17-14(15(16)18(9)11-4-5-11)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,16H2,1-3H3
InChIKeyRVBITTHCXRPQKI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds4

About 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine

3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine (PubChem CID 62224312) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
PubChem CID62224312
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
SMILESCOc1cc(OC)cc(-c2nc(C)n(C3CC3)c2N)c1
InChIInChI=1S/C15H19N3O2/c1-9-17-14(15(16)18(9)11-4-5-11)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,16H2,1-3H3
InChIKeyRVBITTHCXRPQKI-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine (CID 62224312) is 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine is COc1cc(OC)cc(-c2nc(C)n(C3CC3)c2N)c1.
What is the InChIKey of 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine?
The InChIKey is RVBITTHCXRPQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-17-14(15(16)18(9)11-4-5-11)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,16H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine?
3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 62224312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).