1-(4-chloro-1H-pyrazol-5-yl)benzimidazole

C10H7ClN4 — CID 163906532

IUPAC1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
SMILESClc1cn[nH]c1-n1cnc2ccccc21
InChIInChI=1S/C10H7ClN4/c11-7-5-13-14-10(7)15-6-12-8-3-1-2-4-9(8)15/h1-6H,(H,13,14)
InChIKeyQOJJQDCWDCKERK-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.40
Rot. Bonds1

About 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole

1-(4-chloro-1H-pyrazol-5-yl)benzimidazole (PubChem CID 163906532) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
PubChem CID163906532
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
SMILESClc1cn[nH]c1-n1cnc2ccccc21
InChIInChI=1S/C10H7ClN4/c11-7-5-13-14-10(7)15-6-12-8-3-1-2-4-9(8)15/h1-6H,(H,13,14)
InChIKeyQOJJQDCWDCKERK-UHFFFAOYSA-N
XLogP2.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
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1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole
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4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
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2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole?
The IUPAC name of 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole (CID 163906532) is 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole.
What is the SMILES notation for 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole?
The canonical SMILES for 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole is Clc1cn[nH]c1-n1cnc2ccccc21.
What is the InChIKey of 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole?
The InChIKey is QOJJQDCWDCKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-7-5-13-14-10(7)15-6-12-8-3-1-2-4-9(8)15/h1-6H,(H,13,14).
What are the key properties of 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole?
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole has a molecular weight of 218.65 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrazol-5-yl)benzimidazole is sourced from PubChem (CID 163906532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).