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

C13H8Cl2N4O — CID 170427265

IUPAC2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2[nH]cc(-n3ccnc3)c12
InChIInChI=1S/C13H8Cl2N4O/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
InChIKeyXICMNNBRUWYVBY-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.56
Rot. Bonds3

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

2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile (PubChem CID 170427265) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
PubChem CID170427265
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2[nH]cc(-n3ccnc3)c12
InChIInChI=1S/C13H8Cl2N4O/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
InChIKeyXICMNNBRUWYVBY-UHFFFAOYSA-N
XLogP3.56
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The IUPAC name of 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile (CID 170427265) is 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile is N#CCOc1cc(Cl)c(Cl)c2[nH]cc(-n3ccnc3)c12.
What is the InChIKey of 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
The InChIKey is XICMNNBRUWYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/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-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile?
2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile has a molecular weight of 307.14 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dichloro-3-imidazol-1-yl-1H-indol-4-yl)oxy]acetonitrile is sourced from PubChem (CID 170427265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).