3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline

C19H19N3 — CID 6474849

IUPAC3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESC(=C/c1ccccc1)\CNc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H19N3/c1-2-6-17(7-3-1)9-5-11-21-19-10-4-8-18(14-19)15-22-13-12-20-16-22/h1-10,12-14,16,21H,11,15H2/b9-5+
InChIKeyRUDKRJVGBKSIGY-WEVVVXLNSA-N
MW289.38 g/mol
LogP4.06
Rot. Bonds6

About 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline

3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 6474849) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID6474849
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESC(=C/c1ccccc1)\CNc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H19N3/c1-2-6-17(7-3-1)9-5-11-21-19-10-4-8-18(14-19)15-22-13-12-20-16-22/h1-10,12-14,16,21H,11,15H2/b9-5+
InChIKeyRUDKRJVGBKSIGY-WEVVVXLNSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
benzaldehyde;1-benzylimidazole
CID 23446402
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
N-[(4,5-dibromofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)aniline
CID 62083428
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
3-iodo-N-(3-phenylprop-2-enyl)aniline
CID 76997519
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743654
3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline (CID 6474849) is 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline is C(=C/c1ccccc1)\CNc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is RUDKRJVGBKSIGY-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-6-17(7-3-1)9-5-11-21-19-10-4-8-18(14-19)15-22-13-12-20-16-22/h1-10,12-14,16,21H,11,15H2/b9-5+.
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline?
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 6474849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).