1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine

C17H25N3 — CID 115995444

IUPAC1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1-n1cnc(C)c1C
InChIInChI=1S/C17H25N3/c1-5-11-18-16(6-2)15-9-7-8-10-17(15)20-12-19-13(3)14(20)4/h7-10,12,16,18H,5-6,11H2,1-4H3
InChIKeyWAXGOUGDJQCSBU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.94
Rot. Bonds6

About 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 115995444) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID115995444
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1-n1cnc(C)c1C
InChIInChI=1S/C17H25N3/c1-5-11-18-16(6-2)15-9-7-8-10-17(15)20-12-19-13(3)14(20)4/h7-10,12,16,18H,5-6,11H2,1-4H3
InChIKeyWAXGOUGDJQCSBU-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine (CID 115995444) is 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1-n1cnc(C)c1C.
What is the InChIKey of 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is WAXGOUGDJQCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-11-18-16(6-2)15-9-7-8-10-17(15)20-12-19-13(3)14(20)4/h7-10,12,16,18H,5-6,11H2,1-4H3.
What are the key properties of 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).