2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile

C11H7F2N3 — CID 82561742

IUPAC2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3/c12-8-1-2-9(10(13)7-8)11-15-4-6-16(11)5-3-14/h1-2,4,6-7H,5H2
InChIKeyCQWPHQLDDBYARN-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.35
Rot. Bonds2

About 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile (PubChem CID 82561742) has the molecular formula C11H7F2N3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
PubChem CID82561742
Molecular FormulaC11H7F2N3
Molecular Weight219.19 g/mol
Exact Mass219.06
IUPAC Name2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3/c12-8-1-2-9(10(13)7-8)11-15-4-6-16(11)5-3-14/h1-2,4,6-7H,5H2
InChIKeyCQWPHQLDDBYARN-UHFFFAOYSA-N
XLogP2.35
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
CID 82560884
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
CID 82561718
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
CID 70746755
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680
2-[4-(9-fluoro-5,6-dihydroimidazo[2,1-b][3]benzazepin-11-ylidene)piperidin-1-yl]acetonitrile
CID 19371533
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile (CID 82561742) is 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile is N#CCn1ccnc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile?
The InChIKey is CQWPHQLDDBYARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3/c12-8-1-2-9(10(13)7-8)11-15-4-6-16(11)5-3-14/h1-2,4,6-7H,5H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile?
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile has a molecular weight of 219.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile is sourced from PubChem (CID 82561742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).