6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole

C15H10F2N4 — CID 71367754

IUPAC6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
SMILESFc1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C15H10F2N4/c16-8-1-3-10-12(5-8)20-14(18-10)7-15-19-11-4-2-9(17)6-13(11)21-15/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyKTQHAMVXECIAQX-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.31
Rot. Bonds2

About 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole

6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole (PubChem CID 71367754) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
PubChem CID71367754
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
SMILESFc1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C15H10F2N4/c16-8-1-3-10-12(5-8)20-14(18-10)7-15-19-11-4-2-9(17)6-13(11)21-15/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyKTQHAMVXECIAQX-UHFFFAOYSA-N
XLogP3.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CID 60978250
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
CID 45357279
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole (CID 71367754) is 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole is Fc1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole?
The InChIKey is KTQHAMVXECIAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-8-1-3-10-12(5-8)20-14(18-10)7-15-19-11-4-2-9(17)6-13(11)21-15/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole?
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole has a molecular weight of 284.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 71367754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).