4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile

C19H15N5 — CID 163648564

IUPAC4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile
SMILESCCn1cc(-c2ccc3c(c2)ncn3-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C19H15N5/c1-2-23-12-16(11-22-23)15-5-8-19-18(9-15)21-13-24(19)17-6-3-14(10-20)4-7-17/h3-9,11-13H,2H2,1H3
InChIKeyIKHKFSLUHSXGCS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.78
Rot. Bonds3

About 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile

4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile (PubChem CID 163648564) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile
PubChem CID163648564
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile
SMILESCCn1cc(-c2ccc3c(c2)ncn3-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C19H15N5/c1-2-23-12-16(11-22-23)15-5-8-19-18(9-15)21-13-24(19)17-6-3-14(10-20)4-7-17/h3-9,11-13H,2H2,1H3
InChIKeyIKHKFSLUHSXGCS-UHFFFAOYSA-N
XLogP3.78
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile?
The IUPAC name of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile (CID 163648564) is 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile is CCn1cc(-c2ccc3c(c2)ncn3-c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile?
The InChIKey is IKHKFSLUHSXGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-23-12-16(11-22-23)15-5-8-19-18(9-15)21-13-24(19)17-6-3-14(10-20)4-7-17/h3-9,11-13H,2H2,1H3.
What are the key properties of 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile?
4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]benzonitrile is sourced from PubChem (CID 163648564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).