2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile

C18H11N5O — CID 75391013

IUPAC2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Oc4cnccn4)cc3)[nH]c2c1
InChIInChI=1S/C18H11N5O/c19-10-12-1-6-15-16(9-12)23-18(22-15)13-2-4-14(5-3-13)24-17-11-20-7-8-21-17/h1-9,11H,(H,22,23)
InChIKeyQACBJKDFJUMVHG-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile

2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 75391013) has the molecular formula C18H11N5O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID75391013
Molecular FormulaC18H11N5O
Molecular Weight313.32 g/mol
Exact Mass313.10
IUPAC Name2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Oc4cnccn4)cc3)[nH]c2c1
InChIInChI=1S/C18H11N5O/c19-10-12-1-6-15-16(9-12)23-18(22-15)13-2-4-14(5-3-13)24-17-11-20-7-8-21-17/h1-9,11H,(H,22,23)
InChIKeyQACBJKDFJUMVHG-UHFFFAOYSA-N
XLogP3.68
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
CID 168555204
2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168553040
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
CID 19864793
2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
CID 70852236

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile (CID 75391013) is 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccc(Oc4cnccn4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is QACBJKDFJUMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O/c19-10-12-1-6-15-16(9-12)23-18(22-15)13-2-4-14(5-3-13)24-17-11-20-7-8-21-17/h1-9,11H,(H,22,23).
What are the key properties of 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile?
2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 75391013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).