2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C13H20N4 — CID 65230472

IUPAC2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2cnc[nH]2)c(C)n1C
InChIInChI=1S/C13H20N4/c1-10-6-12(11(2)17(10)3)7-14-5-4-13-8-15-9-16-13/h6,8-9,14H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyDPEZTZBMVCLXOW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 65230472) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID65230472
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2cnc[nH]2)c(C)n1C
InChIInChI=1S/C13H20N4/c1-10-6-12(11(2)17(10)3)7-14-5-4-13-8-15-9-16-13/h6,8-9,14H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyDPEZTZBMVCLXOW-UHFFFAOYSA-N
XLogP1.70
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473499
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65231014
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-1-amine
CID 113337043
2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 168925054
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 65230472) is 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCCc2cnc[nH]2)c(C)n1C.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is DPEZTZBMVCLXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-6-12(11(2)17(10)3)7-14-5-4-13-8-15-9-16-13/h6,8-9,14H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65230472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).