2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile

C13H8ClFN4O — CID 170427936

IUPAC2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(F)c2[nH]cc(-n3ccnc3)c12
InChIInChI=1S/C13H8ClFN4O/c14-8-5-10(20-4-1-16)11-9(19-3-2-17-7-19)6-18-13(11)12(8)15/h2-3,5-7,18H,4H2
InChIKeyAROIWHOQDHHCFB-UHFFFAOYSA-N
MW290.69 g/mol
LogP3.05
Rot. Bonds3

About 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile

2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile (PubChem CID 170427936) has the molecular formula C13H8ClFN4O and a molecular weight of 290.69 g/mol. Its IUPAC name is 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
PubChem CID170427936
Molecular FormulaC13H8ClFN4O
Molecular Weight290.69 g/mol
Exact Mass290.04
IUPAC Name2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(F)c2[nH]cc(-n3ccnc3)c12
InChIInChI=1S/C13H8ClFN4O/c14-8-5-10(20-4-1-16)11-9(19-3-2-17-7-19)6-18-13(11)12(8)15/h2-3,5-7,18H,4H2
InChIKeyAROIWHOQDHHCFB-UHFFFAOYSA-N
XLogP3.05
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluorophenoxy)acetonitrile
CID 91656530
1-(2-prop-2-ynoxyphenyl)imidazole
CID 12509101
4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
2-(3-chloro-4-imidazol-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607400
1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole
CID 21481647
8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one
CID 142646906
1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole
CID 91091733
2-chloro-4-imidazol-1-yl-5-methylaniline
CID 115555169
2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline
CID 162750276
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
3-chloro-5-(chloromethyl)-2-imidazol-1-ylpyridine
CID 61257448
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The IUPAC name of 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile (CID 170427936) is 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile is N#CCOc1cc(Cl)c(F)c2[nH]cc(-n3ccnc3)c12.
What is the InChIKey of 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The InChIKey is AROIWHOQDHHCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O/c14-8-5-10(20-4-1-16)11-9(19-3-2-17-7-19)6-18-13(11)12(8)15/h2-3,5-7,18H,4H2.
What are the key properties of 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile has a molecular weight of 290.69 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-7-fluoro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile is sourced from PubChem (CID 170427936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).