2-(3-phenylpyrazol-1-yl)-1H-benzimidazole

C16H12N4 — CID 66014145

IUPAC2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
SMILESc1ccc(-c2ccn(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)13-10-11-20(19-13)16-17-14-8-4-5-9-15(14)18-16/h1-11H,(H,17,18)
InChIKeyMDIWQCSMDVLKKZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.42
Rot. Bonds2

About 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole

2-(3-phenylpyrazol-1-yl)-1H-benzimidazole (PubChem CID 66014145) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
PubChem CID66014145
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
SMILESc1ccc(-c2ccn(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)13-10-11-20(19-13)16-17-14-8-4-5-9-15(14)18-16/h1-11H,(H,17,18)
InChIKeyMDIWQCSMDVLKKZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole 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-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
CID 58247217
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
2-[4-(1-tritylpyrazol-3-yl)phenyl]-1H-benzimidazole
CID 168554392
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
3-(1H-benzimidazol-2-yl)-4-oxophthalazine-1-carboxylic acid
CID 46397573
2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
CID 14174648
[1-(1H-benzimidazol-2-yl)-3-phenylpyrazol-5-yl] 2-ethylhexanoate
CID 16584229
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
CID 23610018

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole (CID 66014145) is 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole is c1ccc(-c2ccn(-c3nc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole?
The InChIKey is MDIWQCSMDVLKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-12(7-3-1)13-10-11-20(19-13)16-17-14-8-4-5-9-15(14)18-16/h1-11H,(H,17,18).
What are the key properties of 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole?
2-(3-phenylpyrazol-1-yl)-1H-benzimidazole has a molecular weight of 260.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrazol-1-yl)-1H-benzimidazole is sourced from PubChem (CID 66014145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).