N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline

C13H17N3 — CID 134156190

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
SMILESC=CCc1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H17N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7,16H,1,5,8-10H2,(H,14,15)
InChIKeyIYFFDNHPGFKOCO-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.83
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline (PubChem CID 134156190) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
PubChem CID134156190
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
SMILESC=CCc1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H17N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7,16H,1,5,8-10H2,(H,14,15)
InChIKeyIYFFDNHPGFKOCO-UHFFFAOYSA-N
XLogP1.83
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 23617938
1-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pent-4-en-1-one
CID 22493267
2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 57454900
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfanylaniline;hydrochloride
CID 45260704
3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
CID 14878257
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 134149322
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-3-methylaniline
CID 14878249
3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride
CID 70158746
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline
CID 11097789
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493434

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline (CID 134156190) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline is C=CCc1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline?
The InChIKey is IYFFDNHPGFKOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7,16H,1,5,8-10H2,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline has a molecular weight of 215.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline is sourced from PubChem (CID 134156190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).