N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline

C15H17F2N3 — CID 160618320

IUPACN-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESC=CC(F)(F)CCN(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C15H17F2N3/c1-2-15(16,17)8-11-20(12-14-18-9-10-19-14)13-6-4-3-5-7-13/h2-7,9-10H,1,8,11-12H2,(H,18,19)
InChIKeyRGJLWHQFNILVHB-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.63
Rot. Bonds7

About N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline

N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 160618320) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID160618320
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESC=CC(F)(F)CCN(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C15H17F2N3/c1-2-15(16,17)8-11-20(12-14-18-9-10-19-14)13-6-4-3-5-7-13/h2-7,9-10H,1,8,11-12H2,(H,18,19)
InChIKeyRGJLWHQFNILVHB-UHFFFAOYSA-N
XLogP3.63
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylimidazole
CID 81595
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
4-(1H-imidazol-1-yl)aniline
CID 320165
2-(1H-imidazol-2-yl)pyridine
CID 589313
1-(4-Fluorophenyl)imidazole
CID 140833
(2-Bromo-phenyl)-(1H-imidazol-2-yl)-amine
CID 10490084
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
CID 11370952
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
CID 10728865
1-(3-Fluorophenyl)imidazole
CID 2737472

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline (CID 160618320) is N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline is C=CC(F)(F)CCN(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is RGJLWHQFNILVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-2-15(16,17)8-11-20(12-14-18-9-10-19-14)13-6-4-3-5-7-13/h2-7,9-10H,1,8,11-12H2,(H,18,19).
What are the key properties of N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline?
N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 277.32 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 160618320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).