6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole

C16H11ClN4 — CID 141365905

IUPAC6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole
SMILESClc1ccc(-c2cnc(-c3ccc4nc[nH]c4c3)[nH]2)cc1
InChIInChI=1S/C16H11ClN4/c17-12-4-1-10(2-5-12)15-8-18-16(21-15)11-3-6-13-14(7-11)20-9-19-13/h1-9H,(H,18,21)(H,19,20)
InChIKeySLLUMBRBNVCUTA-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.27
Rot. Bonds2

About 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole

6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole (PubChem CID 141365905) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole
PubChem CID141365905
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole
SMILESClc1ccc(-c2cnc(-c3ccc4nc[nH]c4c3)[nH]2)cc1
InChIInChI=1S/C16H11ClN4/c17-12-4-1-10(2-5-12)15-8-18-16(21-15)11-3-6-13-14(7-11)20-9-19-13/h1-9H,(H,18,21)(H,19,20)
InChIKeySLLUMBRBNVCUTA-UHFFFAOYSA-N
XLogP4.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole (CID 141365905) is 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole is Clc1ccc(-c2cnc(-c3ccc4nc[nH]c4c3)[nH]2)cc1.
What is the InChIKey of 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole?
The InChIKey is SLLUMBRBNVCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-12-4-1-10(2-5-12)15-8-18-16(21-15)11-3-6-13-14(7-11)20-9-19-13/h1-9H,(H,18,21)(H,19,20).
What are the key properties of 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole?
6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole has a molecular weight of 294.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 141365905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).