1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole

C14H10FN3O2 — CID 79752931

IUPAC1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10FN3O2/c1-9-16-11-4-2-3-5-12(11)17(9)13-7-6-10(15)8-14(13)18(19)20/h2-8H,1H3
InChIKeyHEYVODSXTGFYQZ-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole

1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole (PubChem CID 79752931) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
PubChem CID79752931
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10FN3O2/c1-9-16-11-4-2-3-5-12(11)17(9)13-7-6-10(15)8-14(13)18(19)20/h2-8H,1H3
InChIKeyHEYVODSXTGFYQZ-UHFFFAOYSA-N
XLogP3.38
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole (CID 79752931) is 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole?
The InChIKey is HEYVODSXTGFYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-9-16-11-4-2-3-5-12(11)17(9)13-7-6-10(15)8-14(13)18(19)20/h2-8H,1H3.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole?
1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole has a molecular weight of 271.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole is sourced from PubChem (CID 79752931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).