(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile

C19H14N6O — CID 97066482

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile
SMILESCc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C19H14N6O/c1-12-14(11-22-25(12)17-8-4-5-9-21-17)18(26)13(10-20)19-23-15-6-2-3-7-16(15)24-19/h2-9,11,13H,1H3,(H,23,24)/t13-/m0/s1
InChIKeySXXGZYHUXLKZHM-ZDUSSCGKSA-N
MW342.36 g/mol
LogP2.94
Rot. Bonds4

About (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile

(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile (PubChem CID 97066482) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile
PubChem CID97066482
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile
SMILESCc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C19H14N6O/c1-12-14(11-22-25(12)17-8-4-5-9-21-17)18(26)13(10-20)19-23-15-6-2-3-7-16(15)24-19/h2-9,11,13H,1H3,(H,23,24)/t13-/m0/s1
InChIKeySXXGZYHUXLKZHM-ZDUSSCGKSA-N
XLogP2.94
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
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(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
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2-(1H-benzimidazol-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxobutanenitrile
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(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
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(2S)-2-(1H-benzimidazol-2-yl)-5-(2-methoxyphenoxy)-3-oxopentanenitrile
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2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
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(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile (CID 97066482) is (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile is Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile?
The InChIKey is SXXGZYHUXLKZHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H14N6O/c1-12-14(11-22-25(12)17-8-4-5-9-21-17)18(26)13(10-20)19-23-15-6-2-3-7-16(15)24-19/h2-9,11,13H,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile?
(2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile has a molecular weight of 342.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-3-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-oxopropanenitrile is sourced from PubChem (CID 97066482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).