4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline

C22H17N5O — CID 135620680

IUPAC4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc4ccccc34)[nH]c2c1
InChIInChI=1S/C22H17N5O/c1-28-17-8-9-19-20(10-17)26-22(25-19)21-16(13-24-27-21)7-6-15-12-23-11-14-4-2-3-5-18(14)15/h2-13H,1H3,(H,24,27)(H,25,26)/b7-6+
InChIKeyFCHLWRKNJFORCX-VOTSOKGWSA-N
MW367.41 g/mol
LogP4.68
Rot. Bonds4

About 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline

4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline (PubChem CID 135620680) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline.

Molecular Properties

Compound Name4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline
PubChem CID135620680
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc4ccccc34)[nH]c2c1
InChIInChI=1S/C22H17N5O/c1-28-17-8-9-19-20(10-17)26-22(25-19)21-16(13-24-27-21)7-6-15-12-23-11-14-4-2-3-5-18(14)15/h2-13H,1H3,(H,24,27)(H,25,26)/b7-6+
InChIKeyFCHLWRKNJFORCX-VOTSOKGWSA-N
XLogP4.68
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The IUPAC name of 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline (CID 135620680) is 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline.
What is the SMILES notation for 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The canonical SMILES for 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline is COc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc4ccccc34)[nH]c2c1.
What is the InChIKey of 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The InChIKey is FCHLWRKNJFORCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H17N5O/c1-28-17-8-9-19-20(10-17)26-22(25-19)21-16(13-24-27-21)7-6-15-12-23-11-14-4-2-3-5-18(14)15/h2-13H,1H3,(H,24,27)(H,25,26)/b7-6+.
What are the key properties of 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline?
4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline has a molecular weight of 367.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]isoquinoline is sourced from PubChem (CID 135620680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).