6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole

C18H13FN2 — CID 60978250

IUPAC6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2nc(Cc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C18H13FN2/c19-14-8-9-16-17(11-14)21-18(20-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21)
InChIKeyZWHWGGLHWDMJIH-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.45
Rot. Bonds2

About 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole

6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole (PubChem CID 60978250) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
PubChem CID60978250
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2nc(Cc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C18H13FN2/c19-14-8-9-16-17(11-14)21-18(20-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21)
InChIKeyZWHWGGLHWDMJIH-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
CID 54469755
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole (CID 60978250) is 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole is Fc1ccc2nc(Cc3cccc4ccccc34)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole?
The InChIKey is ZWHWGGLHWDMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-14-8-9-16-17(11-14)21-18(20-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21).
What are the key properties of 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole?
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole has a molecular weight of 276.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 60978250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).