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

C7H5FN4O2 — CID 137286104

IUPAC7-fluoro-4-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2c([N+](=O)[O-])ccc(F)c2[nH]1
InChIInChI=1S/C7H5FN4O2/c8-3-1-2-4(12(13)14)6-5(3)10-7(9)11-6/h1-2H,(H3,9,10,11)
InChIKeyTWAIGCRUWSYRSZ-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.19
Rot. Bonds1

About 7-fluoro-4-nitro-1H-benzimidazol-2-amine

7-fluoro-4-nitro-1H-benzimidazol-2-amine (PubChem CID 137286104) has the molecular formula C7H5FN4O2 and a molecular weight of 196.14 g/mol. Its IUPAC name is 7-fluoro-4-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name7-fluoro-4-nitro-1H-benzimidazol-2-amine
PubChem CID137286104
Molecular FormulaC7H5FN4O2
Molecular Weight196.14 g/mol
Exact Mass196.04
IUPAC Name7-fluoro-4-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2c([N+](=O)[O-])ccc(F)c2[nH]1
InChIInChI=1S/C7H5FN4O2/c8-3-1-2-4(12(13)14)6-5(3)10-7(9)11-6/h1-2H,(H3,9,10,11)
InChIKeyTWAIGCRUWSYRSZ-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

7-nitro-3H-benzimidazole-2,4-diamine
CID 137243204
5-nitro-1H-benzimidazole-2,4-diamine
CID 131052112
4-methyl-5-nitro-1H-benzimidazol-2-amine
CID 18400140
6-fluoro-4-nitro-1H-benzimidazol-2-amine
CID 133056383
4-fluoro-7-nitro-2H-benzotriazole
CID 123254608
4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
CID 79767338
4,7-dinitro-2H-benzotriazole
CID 54319685
2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79756615
5-fluoro-2-methoxy-8-nitroquinoline
CID 86241718
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 79757384
2-chloro-4-fluoro-5-nitro-1H-benzimidazole
CID 170904650
CID 157299402
CID 157299402

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-nitro-1H-benzimidazol-2-amine?
The IUPAC name of 7-fluoro-4-nitro-1H-benzimidazol-2-amine (CID 137286104) is 7-fluoro-4-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for 7-fluoro-4-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for 7-fluoro-4-nitro-1H-benzimidazol-2-amine is Nc1nc2c([N+](=O)[O-])ccc(F)c2[nH]1.
What is the InChIKey of 7-fluoro-4-nitro-1H-benzimidazol-2-amine?
The InChIKey is TWAIGCRUWSYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O2/c8-3-1-2-4(12(13)14)6-5(3)10-7(9)11-6/h1-2H,(H3,9,10,11).
What are the key properties of 7-fluoro-4-nitro-1H-benzimidazol-2-amine?
7-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 7-fluoro-4-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 137286104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).