4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile

C19H14N6O — CID 140903638

IUPAC4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc21
InChIInChI=1S/C19H14N6O/c20-11-15-12-22-19(26-10-7-14-5-8-21-9-6-14)24-18(15)25-13-23-16-3-1-2-4-17(16)25/h1-6,8-9,12-13H,7,10H2
InChIKeySMWTVWCHVAECGZ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.70
Rot. Bonds5

About 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile

4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile (PubChem CID 140903638) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile
PubChem CID140903638
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc21
InChIInChI=1S/C19H14N6O/c20-11-15-12-22-19(26-10-7-14-5-8-21-9-6-14)24-18(15)25-13-23-16-3-1-2-4-17(16)25/h1-6,8-9,12-13H,7,10H2
InChIKeySMWTVWCHVAECGZ-UHFFFAOYSA-N
XLogP2.70
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile (CID 140903638) is 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile is N#Cc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile?
The InChIKey is SMWTVWCHVAECGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c20-11-15-12-22-19(26-10-7-14-5-8-21-9-6-14)24-18(15)25-13-23-16-3-1-2-4-17(16)25/h1-6,8-9,12-13H,7,10H2.
What are the key properties of 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile?
4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile is sourced from PubChem (CID 140903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).