2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile

C20H18N6 — CID 167660028

IUPAC2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccn2ccnc2c1.N#CCc1ccn2ccnc2c1
InChIInChI=1S/C11H11N3.C9H7N3/c1-11(2,8-12)9-3-5-14-6-4-13-10(14)7-9;10-3-1-8-2-5-12-6-4-11-9(12)7-8/h3-7H,1-2H3;2,4-7H,1H2
InChIKeyRUVXADPFNNMRGQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.54
Rot. Bonds2

About 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile

2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile (PubChem CID 167660028) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile
PubChem CID167660028
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccn2ccnc2c1.N#CCc1ccn2ccnc2c1
InChIInChI=1S/C11H11N3.C9H7N3/c1-11(2,8-12)9-3-5-14-6-4-13-10(14)7-9;10-3-1-8-2-5-12-6-4-11-9(12)7-8/h3-7H,1-2H3;2,4-7H,1H2
InChIKeyRUVXADPFNNMRGQ-UHFFFAOYSA-N
XLogP3.54
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethylimidazo[1,2-a]pyridine
CID 18184463
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510
2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
CID 131271060
2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)-2-methylpropanenitrile
CID 162181529
2-[3-(cyanomethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
CID 19349416
2-(2-trimethylsilyl-4-pyridinyl)acetonitrile
CID 175447019
2-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
ethane;imidazo[1,2-a]pyridine-7-carbaldehyde
CID 156651569
2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]acetonitrile
CID 10777278
2-[3-(2-cyanopropan-2-yl)-5-(triazol-2-ylmethyl)phenyl]-2-methylpropanenitrile
CID 123133827
2-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]acetonitrile
CID 84795090
7-butan-2-ylimidazo[1,2-a]pyridine
CID 123700933

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile?
The IUPAC name of 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile (CID 167660028) is 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile is CC(C)(C#N)c1ccn2ccnc2c1.N#CCc1ccn2ccnc2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile?
The InChIKey is RUVXADPFNNMRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.C9H7N3/c1-11(2,8-12)9-3-5-14-6-4-13-10(14)7-9;10-3-1-8-2-5-12-6-4-11-9(12)7-8/h3-7H,1-2H3;2,4-7H,1H2.
What are the key properties of 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile?
2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile has a molecular weight of 342.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile is sourced from PubChem (CID 167660028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).