2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole

C16H12F2N2 — CID 60978770

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc4c(c3)CCC4)[nH]c2cc1F
InChIInChI=1S/C16H12F2N2/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,19,20)
InChIKeyVXJPORKJUXHEKS-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.00
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole

2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole (PubChem CID 60978770) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
PubChem CID60978770
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc4c(c3)CCC4)[nH]c2cc1F
InChIInChI=1S/C16H12F2N2/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,19,20)
InChIKeyVXJPORKJUXHEKS-UHFFFAOYSA-N
XLogP4.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137449
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 82005414
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817017
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
CID 166873743
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole (CID 60978770) is 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(-c3ccc4c(c3)CCC4)[nH]c2cc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is VXJPORKJUXHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole?
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 270.28 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 60978770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).