2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole

C23H18N4 — CID 141100454

IUPAC2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C23H18N4/c1-2-7-19(8-3-1)23-25-21-9-4-5-10-22(21)26(23)17-18-11-13-20(14-12-18)27-16-6-15-24-27/h1-16H,17H2
InChIKeyYPLXUYCDKDOFNO-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.94
Rot. Bonds4

About 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole

2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole (PubChem CID 141100454) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
PubChem CID141100454
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C23H18N4/c1-2-7-19(8-3-1)23-25-21-9-4-5-10-22(21)26(23)17-18-11-13-20(14-12-18)27-16-6-15-24-27/h1-16H,17H2
InChIKeyYPLXUYCDKDOFNO-UHFFFAOYSA-N
XLogP4.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39151457
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39151464
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole (CID 141100454) is 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole is c1ccc(-c2nc3ccccc3n2Cc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole?
The InChIKey is YPLXUYCDKDOFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-2-7-19(8-3-1)23-25-21-9-4-5-10-22(21)26(23)17-18-11-13-20(14-12-18)27-16-6-15-24-27/h1-16H,17H2.
What are the key properties of 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole?
2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole has a molecular weight of 350.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole is sourced from PubChem (CID 141100454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).