2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile

C23H23N7 — CID 11372893

IUPAC2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
SMILESCCn1c(C(C#N)c2nc(NCCc3ccccn3)ncc2C)nc2ccccc21
InChIInChI=1S/C23H23N7/c1-3-30-20-10-5-4-9-19(20)28-22(30)18(14-24)21-16(2)15-27-23(29-21)26-13-11-17-8-6-7-12-25-17/h4-10,12,15,18H,3,11,13H2,1-2H3,(H,26,27,29)
InChIKeyWRNKVUBBHNIFBI-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.86
Rot. Bonds7

About 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile

2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile (PubChem CID 11372893) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
PubChem CID11372893
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
SMILESCCn1c(C(C#N)c2nc(NCCc3ccccn3)ncc2C)nc2ccccc21
InChIInChI=1S/C23H23N7/c1-3-30-20-10-5-4-9-19(20)28-22(30)18(14-24)21-16(2)15-27-23(29-21)26-13-11-17-8-6-7-12-25-17/h4-10,12,15,18H,3,11,13H2,1-2H3,(H,26,27,29)
InChIKeyWRNKVUBBHNIFBI-UHFFFAOYSA-N
XLogP3.86
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile (CID 11372893) is 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile is CCn1c(C(C#N)c2nc(NCCc3ccccn3)ncc2C)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The InChIKey is WRNKVUBBHNIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-3-30-20-10-5-4-9-19(20)28-22(30)18(14-24)21-16(2)15-27-23(29-21)26-13-11-17-8-6-7-12-25-17/h4-10,12,15,18H,3,11,13H2,1-2H3,(H,26,27,29).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile has a molecular weight of 397.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile is sourced from PubChem (CID 11372893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).