5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole

C14H10F2N2 — CID 118330653

IUPAC5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
SMILESCc1cccc(-c2c(F)ccc3[nH]cnc23)c1F
InChIInChI=1S/C14H10F2N2/c1-8-3-2-4-9(13(8)16)12-10(15)5-6-11-14(12)18-7-17-11/h2-7H,1H3,(H,17,18)
InChIKeyDOYBDBVXUVPPEI-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.82
Rot. Bonds1

About 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole

5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole (PubChem CID 118330653) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
PubChem CID118330653
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
SMILESCc1cccc(-c2c(F)ccc3[nH]cnc23)c1F
InChIInChI=1S/C14H10F2N2/c1-8-3-2-4-9(13(8)16)12-10(15)5-6-11-14(12)18-7-17-11/h2-7H,1H3,(H,17,18)
InChIKeyDOYBDBVXUVPPEI-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole?
The IUPAC name of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole (CID 118330653) is 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole is Cc1cccc(-c2c(F)ccc3[nH]cnc23)c1F.
What is the InChIKey of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole?
The InChIKey is DOYBDBVXUVPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-8-3-2-4-9(13(8)16)12-10(15)5-6-11-14(12)18-7-17-11/h2-7H,1H3,(H,17,18).
What are the key properties of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole?
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole has a molecular weight of 244.24 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 118330653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).