2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile

C13H11N5 — CID 143872837

IUPAC2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile
SMILESCCc1cn[nH]c1-c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C13H11N5/c1-2-9-7-15-18-12(9)13-16-10-4-3-8(6-14)5-11(10)17-13/h3-5,7H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyQJTOFQSAXGOPDC-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.39
Rot. Bonds2

About 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile

2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 143872837) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID143872837
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile
SMILESCCc1cn[nH]c1-c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C13H11N5/c1-2-9-7-15-18-12(9)13-16-10-4-3-8(6-14)5-11(10)17-13/h3-5,7H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyQJTOFQSAXGOPDC-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(2-methyl-1,3-thiazol-4-yl)-3H-benzimidazole-5-carbonitrile
CID 79004870
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
2-(2-ethoxy-4-methylsulfinylphenyl)-3H-benzimidazole-5-carbonitrile
CID 70493327

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile (CID 143872837) is 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile is CCc1cn[nH]c1-c1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is QJTOFQSAXGOPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-9-7-15-18-12(9)13-16-10-4-3-8(6-14)5-11(10)17-13/h3-5,7H,2H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile?
2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 237.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 143872837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).