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

C15H19N3O2 — CID 62219821

IUPAC2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine
SMILESCOc1cccc(-c2nc(C3CC3)n(C)c2N)c1OC
InChIInChI=1S/C15H19N3O2/c1-18-14(16)12(17-15(18)9-7-8-9)10-5-4-6-11(19-2)13(10)20-3/h4-6,9H,7-8,16H2,1-3H3
InChIKeyXQHPUFMGGPWWFZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.56
Rot. Bonds4

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

2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine (PubChem CID 62219821) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine
PubChem CID62219821
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine
SMILESCOc1cccc(-c2nc(C3CC3)n(C)c2N)c1OC
InChIInChI=1S/C15H19N3O2/c1-18-14(16)12(17-15(18)9-7-8-9)10-5-4-6-11(19-2)13(10)20-3/h4-6,9H,7-8,16H2,1-3H3
InChIKeyXQHPUFMGGPWWFZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine (CID 62219821) is 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine is COc1cccc(-c2nc(C3CC3)n(C)c2N)c1OC.
What is the InChIKey of 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine?
The InChIKey is XQHPUFMGGPWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-14(16)12(17-15(18)9-7-8-9)10-5-4-6-11(19-2)13(10)20-3/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine?
2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 62219821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).