2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C12H19N5 — CID 62956678

IUPAC2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCn1ccnc1
InChIInChI=1S/C12H19N5/c1-2-6-17-9-5-15-12(17)10-13-3-7-16-8-4-14-11-16/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyZARRGVSJLPCHEZ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds7

About 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 62956678) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID62956678
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCn1ccnc1
InChIInChI=1S/C12H19N5/c1-2-6-17-9-5-15-12(17)10-13-3-7-16-8-4-14-11-16/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyZARRGVSJLPCHEZ-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 62956678) is 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CNCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is ZARRGVSJLPCHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-6-17-9-5-15-12(17)10-13-3-7-16-8-4-14-11-16/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62956678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).