2-(4-chlorophenyl)-1H-benzimidazole

C13H9ClN2 — CID 759417

IUPAC2-(4-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
InChIKeyPTXUJRTVWRYYTE-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 2-(4-chlorophenyl)-1H-benzimidazole

2-(4-chlorophenyl)-1H-benzimidazole (PubChem CID 759417) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1H-benzimidazole
PubChem CID759417
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name2-(4-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
InChIKeyPTXUJRTVWRYYTE-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1H-benzimidazole (CID 759417) is 2-(4-chlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1H-benzimidazole is Clc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1H-benzimidazole?
The InChIKey is PTXUJRTVWRYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-1H-benzimidazole?
2-(4-chlorophenyl)-1H-benzimidazole has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 759417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).