6-fluoro-4-nitro-1H-benzimidazol-2-amine

C7H5FN4O2 — CID 133056383

IUPAC6-fluoro-4-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2c([N+](=O)[O-])cc(F)cc2[nH]1
InChIInChI=1S/C7H5FN4O2/c8-3-1-4-6(11-7(9)10-4)5(2-3)12(13)14/h1-2H,(H3,9,10,11)
InChIKeyWTUWVVRTGDUFFE-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.19
Rot. Bonds1

About 6-fluoro-4-nitro-1H-benzimidazol-2-amine

6-fluoro-4-nitro-1H-benzimidazol-2-amine (PubChem CID 133056383) has the molecular formula C7H5FN4O2 and a molecular weight of 196.14 g/mol. Its IUPAC name is 6-fluoro-4-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-4-nitro-1H-benzimidazol-2-amine
PubChem CID133056383
Molecular FormulaC7H5FN4O2
Molecular Weight196.14 g/mol
Exact Mass196.04
IUPAC Name6-fluoro-4-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2c([N+](=O)[O-])cc(F)cc2[nH]1
InChIInChI=1S/C7H5FN4O2/c8-3-1-4-6(11-7(9)10-4)5(2-3)12(13)14/h1-2H,(H3,9,10,11)
InChIKeyWTUWVVRTGDUFFE-UHFFFAOYSA-N
XLogP1.19
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
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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Related Compounds

5-nitro-1H-benzimidazole-2,4-diamine
CID 131052112
4-methyl-5-nitro-1H-benzimidazol-2-amine
CID 18400140
7-fluoro-4-nitro-1H-benzimidazol-2-amine
CID 137286104
(2-amino-6-fluoro-1H-benzimidazol-4-yl)oxyboronic acid
CID 153409440
7-nitro-3H-benzimidazole-2,4-diamine
CID 137243204
2-chloro-7-fluoro-5-nitroquinoxaline
CID 174379231
6-fluoro-8-nitro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553118
4-nitro-2-phenyl-6-(trifluoromethyl)-1H-benzimidazole
CID 10913822
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
CID 10752580
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-nitro-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-4-nitro-1H-benzimidazol-2-amine (CID 133056383) is 6-fluoro-4-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-4-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-4-nitro-1H-benzimidazol-2-amine is Nc1nc2c([N+](=O)[O-])cc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-4-nitro-1H-benzimidazol-2-amine?
The InChIKey is WTUWVVRTGDUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O2/c8-3-1-4-6(11-7(9)10-4)5(2-3)12(13)14/h1-2H,(H3,9,10,11).
What are the key properties of 6-fluoro-4-nitro-1H-benzimidazol-2-amine?
6-fluoro-4-nitro-1H-benzimidazol-2-amine has a molecular weight of 196.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 133056383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).