1-methyl-7-nitrobenzimidazol-2-amine

C8H8N4O2 — CID 57386848

IUPAC1-methyl-7-nitrobenzimidazol-2-amine
SMILESCn1c(N)nc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C8H8N4O2/c1-11-7-5(10-8(11)9)3-2-4-6(7)12(13)14/h2-4H,1H3,(H2,9,10)
InChIKeyXFGDHYKWHZTEQG-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-7-nitrobenzimidazol-2-amine

1-methyl-7-nitrobenzimidazol-2-amine (PubChem CID 57386848) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-7-nitrobenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-7-nitrobenzimidazol-2-amine
PubChem CID57386848
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-methyl-7-nitrobenzimidazol-2-amine
SMILESCn1c(N)nc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C8H8N4O2/c1-11-7-5(10-8(11)9)3-2-4-6(7)12(13)14/h2-4H,1H3,(H2,9,10)
InChIKeyXFGDHYKWHZTEQG-UHFFFAOYSA-N
XLogP1.06
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
7-tert-butyl-1-methylbenzimidazol-2-amine
CID 84620080
1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
CID 141184084
1,4-dimethyl-5-nitroquinoxaline-2,3-dione
CID 177185302
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
3-methyl-4-nitro-1,3-benzoxazol-2-one
CID 131842931
1-methyl-6-nitroindazol-7-amine
CID 76846031
5-nitroquinolin-4-amine
CID 53439998
ethane;8-nitronaphthalen-1-amine
CID 143448264
4-methyl-3-(2-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 16764873
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
4-bromo-2-methyl-5-nitroquinazoline
CID 106584479

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-nitrobenzimidazol-2-amine?
The IUPAC name of 1-methyl-7-nitrobenzimidazol-2-amine (CID 57386848) is 1-methyl-7-nitrobenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-7-nitrobenzimidazol-2-amine?
The canonical SMILES for 1-methyl-7-nitrobenzimidazol-2-amine is Cn1c(N)nc2cccc([N+](=O)[O-])c21.
What is the InChIKey of 1-methyl-7-nitrobenzimidazol-2-amine?
The InChIKey is XFGDHYKWHZTEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-7-5(10-8(11)9)3-2-4-6(7)12(13)14/h2-4H,1H3,(H2,9,10).
What are the key properties of 1-methyl-7-nitrobenzimidazol-2-amine?
1-methyl-7-nitrobenzimidazol-2-amine has a molecular weight of 192.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-nitrobenzimidazol-2-amine is sourced from PubChem (CID 57386848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).