2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole

C16H9BrCl2N2 — CID 159139111

IUPAC2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3=Cc4ccc(Br)cc4C3)[nH]c2cc1Cl
InChIInChI=1S/C16H9BrCl2N2/c17-11-2-1-8-3-10(4-9(8)5-11)16-20-14-6-12(18)13(19)7-15(14)21-16/h1-3,5-7H,4H2,(H,20,21)
InChIKeyKHWLHJBNKFNIAG-UHFFFAOYSA-N
MW380.07 g/mol
LogP5.73
Rot. Bonds1

About 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole

2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole (PubChem CID 159139111) has the molecular formula C16H9BrCl2N2 and a molecular weight of 380.07 g/mol. Its IUPAC name is 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole
PubChem CID159139111
Molecular FormulaC16H9BrCl2N2
Molecular Weight380.07 g/mol
Exact Mass377.93
IUPAC Name2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3=Cc4ccc(Br)cc4C3)[nH]c2cc1Cl
InChIInChI=1S/C16H9BrCl2N2/c17-11-2-1-8-3-10(4-9(8)5-11)16-20-14-6-12(18)13(19)7-15(14)21-16/h1-3,5-7H,4H2,(H,20,21)
InChIKeyKHWLHJBNKFNIAG-UHFFFAOYSA-N
XLogP5.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.07
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole (CID 159139111) is 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole is Clc1cc2nc(C3=Cc4ccc(Br)cc4C3)[nH]c2cc1Cl.
What is the InChIKey of 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is KHWLHJBNKFNIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2/c17-11-2-1-8-3-10(4-9(8)5-11)16-20-14-6-12(18)13(19)7-15(14)21-16/h1-3,5-7H,4H2,(H,20,21).
What are the key properties of 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole?
2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole has a molecular weight of 380.07 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-inden-2-yl)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 159139111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).