6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole

C16H11F2N3 — CID 154626614

IUPAC6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole
SMILESFc1ccc2nc(Cc3c[nH]c4c(F)cccc34)[nH]c2c1
InChIInChI=1S/C16H11F2N3/c17-10-4-5-13-14(7-10)21-15(20-13)6-9-8-19-16-11(9)2-1-3-12(16)18/h1-5,7-8,19H,6H2,(H,20,21)
InChIKeyKEGHWZKIVCYYMV-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.91
Rot. Bonds2

About 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole

6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole (PubChem CID 154626614) has the molecular formula C16H11F2N3 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole
PubChem CID154626614
Molecular FormulaC16H11F2N3
Molecular Weight283.28 g/mol
Exact Mass283.09
IUPAC Name6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole
SMILESFc1ccc2nc(Cc3c[nH]c4c(F)cccc34)[nH]c2c1
InChIInChI=1S/C16H11F2N3/c17-10-4-5-13-14(7-10)21-15(20-13)6-9-8-19-16-11(9)2-1-3-12(16)18/h1-5,7-8,19H,6H2,(H,20,21)
InChIKeyKEGHWZKIVCYYMV-UHFFFAOYSA-N
XLogP3.91
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole (CID 154626614) is 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole is Fc1ccc2nc(Cc3c[nH]c4c(F)cccc34)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole?
The InChIKey is KEGHWZKIVCYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3/c17-10-4-5-13-14(7-10)21-15(20-13)6-9-8-19-16-11(9)2-1-3-12(16)18/h1-5,7-8,19H,6H2,(H,20,21).
What are the key properties of 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole?
6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole has a molecular weight of 283.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(7-fluoro-1H-indol-3-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 154626614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).