2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine

C14H19N3O2 — CID 65459802

IUPAC2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCOc1ccc(OC)c(-c2cnc(C(C)(C)N)[nH]2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,15)13-16-8-11(17-13)10-7-9(18-3)5-6-12(10)19-4/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyRBLIIILZRLWEQB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine

2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65459802) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID65459802
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCOc1ccc(OC)c(-c2cnc(C(C)(C)N)[nH]2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,15)13-16-8-11(17-13)10-7-9(18-3)5-6-12(10)19-4/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyRBLIIILZRLWEQB-UHFFFAOYSA-N
XLogP2.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine (CID 65459802) is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine is COc1ccc(OC)c(-c2cnc(C(C)(C)N)[nH]2)c1.
What is the InChIKey of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is RBLIIILZRLWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,15)13-16-8-11(17-13)10-7-9(18-3)5-6-12(10)19-4/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine?
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65459802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).