2-pyrazol-1-yl-1H-benzimidazole

C10H8N4 — CID 639420

IUPAC2-pyrazol-1-yl-1H-benzimidazole
SMILESc1ccc2[nH]c(-n3cccn3)nc2c1
InChIInChI=1S/C10H8N4/c1-2-5-9-8(4-1)12-10(13-9)14-7-3-6-11-14/h1-7H,(H,12,13)
InChIKeyQMKRHMVAGXMKAA-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.75
Rot. Bonds1

About 2-pyrazol-1-yl-1H-benzimidazole

2-pyrazol-1-yl-1H-benzimidazole (PubChem CID 639420) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-pyrazol-1-yl-1H-benzimidazole
PubChem CID639420
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-pyrazol-1-yl-1H-benzimidazole
SMILESc1ccc2[nH]c(-n3cccn3)nc2c1
InChIInChI=1S/C10H8N4/c1-2-5-9-8(4-1)12-10(13-9)14-7-3-6-11-14/h1-7H,(H,12,13)
InChIKeyQMKRHMVAGXMKAA-UHFFFAOYSA-N
XLogP1.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
CID 66014145
5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
2-(3,4-dihydropyrazol-2-yl)-1H-benzimidazole
CID 19365449
5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277465
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546
6-chloro-5-piperidin-1-yl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252332
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536
5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 121299899
2-methyl-1H-benzimidazole
CID 11984

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1H-benzimidazole?
The IUPAC name of 2-pyrazol-1-yl-1H-benzimidazole (CID 639420) is 2-pyrazol-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-pyrazol-1-yl-1H-benzimidazole?
The canonical SMILES for 2-pyrazol-1-yl-1H-benzimidazole is c1ccc2[nH]c(-n3cccn3)nc2c1.
What is the InChIKey of 2-pyrazol-1-yl-1H-benzimidazole?
The InChIKey is QMKRHMVAGXMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-5-9-8(4-1)12-10(13-9)14-7-3-6-11-14/h1-7H,(H,12,13).
What are the key properties of 2-pyrazol-1-yl-1H-benzimidazole?
2-pyrazol-1-yl-1H-benzimidazole has a molecular weight of 184.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1H-benzimidazole is sourced from PubChem (CID 639420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).