2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile

C15H14N4O — CID 116834712

IUPAC2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
SMILESCN1C(=O)Cc2cc(C(C#N)c3nccn3C)ccc21
InChIInChI=1S/C15H14N4O/c1-18-6-5-17-15(18)12(9-16)10-3-4-13-11(7-10)8-14(20)19(13)2/h3-7,12H,8H2,1-2H3
InChIKeyQIDZOLHCZVONDS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.59
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile

2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile (PubChem CID 116834712) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
PubChem CID116834712
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
SMILESCN1C(=O)Cc2cc(C(C#N)c3nccn3C)ccc21
InChIInChI=1S/C15H14N4O/c1-18-6-5-17-15(18)12(9-16)10-3-4-13-11(7-10)8-14(20)19(13)2/h3-7,12H,8H2,1-2H3
InChIKeyQIDZOLHCZVONDS-UHFFFAOYSA-N
XLogP1.59
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 116834670
2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
2-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834671
5-(2-amino-1-pyrimidin-2-ylethyl)-1-methyl-3H-indol-2-one
CID 116833836
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
2-(1-methylimidazol-2-yl)-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 116834691
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
CID 116834708
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile (CID 116834712) is 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile is CN1C(=O)Cc2cc(C(C#N)c3nccn3C)ccc21.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile?
The InChIKey is QIDZOLHCZVONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-18-6-5-17-15(18)12(9-16)10-3-4-13-11(7-10)8-14(20)19(13)2/h3-7,12H,8H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile?
2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile is sourced from PubChem (CID 116834712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).