2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile

C20H15N5 — CID 56873300

IUPAC2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nccn1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H15N5/c21-14-17-4-1-2-5-19(17)20-22-11-13-24(20)15-16-6-8-18(9-7-16)25-12-3-10-23-25/h1-13H,15H2
InChIKeyZMRMFLIXUJKAIL-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile

2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile (PubChem CID 56873300) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
PubChem CID56873300
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nccn1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H15N5/c21-14-17-4-1-2-5-19(17)20-22-11-13-24(20)15-16-6-8-18(9-7-16)25-12-3-10-23-25/h1-13H,15H2
InChIKeyZMRMFLIXUJKAIL-UHFFFAOYSA-N
XLogP3.66
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561753
2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 82561735
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-oxo-2H-isoquinoline-5-carbonitrile
CID 91664328
2-[4-[(4-amino-2-methylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 90855660
2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile
CID 143116198
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile?
The IUPAC name of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile (CID 56873300) is 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile?
The canonical SMILES for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile is N#Cc1ccccc1-c1nccn1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile?
The InChIKey is ZMRMFLIXUJKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-14-17-4-1-2-5-19(17)20-22-11-13-24(20)15-16-6-8-18(9-7-16)25-12-3-10-23-25/h1-13H,15H2.
What are the key properties of 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile?
2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile is sourced from PubChem (CID 56873300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).