N-methyl-4-nitro-1H-benzimidazol-2-amine

C8H8N4O2 — CID 45077987

IUPACN-methyl-4-nitro-1H-benzimidazol-2-amine
SMILESCNc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C8H8N4O2/c1-9-8-10-5-3-2-4-6(12(13)14)7(5)11-8/h2-4H,1H3,(H2,9,10,11)
InChIKeyOJEYYBPYYYDALI-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.51
Rot. Bonds2

About N-methyl-4-nitro-1H-benzimidazol-2-amine

N-methyl-4-nitro-1H-benzimidazol-2-amine (PubChem CID 45077987) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-methyl-4-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-nitro-1H-benzimidazol-2-amine
PubChem CID45077987
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-methyl-4-nitro-1H-benzimidazol-2-amine
SMILESCNc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C8H8N4O2/c1-9-8-10-5-3-2-4-6(12(13)14)7(5)11-8/h2-4H,1H3,(H2,9,10,11)
InChIKeyOJEYYBPYYYDALI-UHFFFAOYSA-N
XLogP1.51
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.51
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

4-nitro-N-propan-2-yl-1H-benzimidazol-2-amine
CID 10727632
1-ethyl-3-(4-nitro-1H-benzimidazol-2-yl)urea
CID 102320536
4-nitro-2-[(4-nitro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 129046933
4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
2-ethenyl-4-nitro-1H-benzimidazole
CID 11127049
2-ethylsulfonyl-4-nitro-1H-benzimidazole
CID 76845867
ethyl 4-nitro-1H-benzimidazole-2-carboxylate
CID 141488459
4-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 84618412
methyl 4-(4-nitro-1H-benzimidazol-2-yl)benzoate
CID 4915276
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
CID 59843298
N-methyl-8-nitroquinoline-2-carboxamide
CID 70694486
N-[(2-methyl-3-nitrophenyl)methyl]-1H-benzimidazol-2-amine
CID 103111773

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-1H-benzimidazol-2-amine?
The IUPAC name of N-methyl-4-nitro-1H-benzimidazol-2-amine (CID 45077987) is N-methyl-4-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-methyl-4-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for N-methyl-4-nitro-1H-benzimidazol-2-amine is CNc1nc2c([N+](=O)[O-])cccc2[nH]1.
What is the InChIKey of N-methyl-4-nitro-1H-benzimidazol-2-amine?
The InChIKey is OJEYYBPYYYDALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-9-8-10-5-3-2-4-6(12(13)14)7(5)11-8/h2-4H,1H3,(H2,9,10,11).
What are the key properties of N-methyl-4-nitro-1H-benzimidazol-2-amine?
N-methyl-4-nitro-1H-benzimidazol-2-amine has a molecular weight of 192.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 45077987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).