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

C15H13FN2O — CID 64721931

IUPAC4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)cc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H13FN2O/c1-9-6-7-13(19-2)10(8-9)15-17-12-5-3-4-11(16)14(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyXPDDEWBFMNRDTQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.69
Rot. Bonds2

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

4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole (PubChem CID 64721931) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
PubChem CID64721931
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)cc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H13FN2O/c1-9-6-7-13(19-2)10(8-9)15-17-12-5-3-4-11(16)14(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyXPDDEWBFMNRDTQ-UHFFFAOYSA-N
XLogP3.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole (CID 64721931) is 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole is COc1ccc(C)cc1-c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
The InChIKey is XPDDEWBFMNRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-9-6-7-13(19-2)10(8-9)15-17-12-5-3-4-11(16)14(12)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole?
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole has a molecular weight of 256.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 64721931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).