(6-nitro-1H-benzimidazol-2-yl)methanamine

C8H8N4O2 — CID 30159791

IUPAC(6-nitro-1H-benzimidazol-2-yl)methanamine
SMILESNCc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C8H8N4O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,4,9H2,(H,10,11)
InChIKeyBRGDBWNIKSYHTD-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.93
Rot. Bonds2

About (6-nitro-1H-benzimidazol-2-yl)methanamine

(6-nitro-1H-benzimidazol-2-yl)methanamine (PubChem CID 30159791) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (6-nitro-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-nitro-1H-benzimidazol-2-yl)methanamine
PubChem CID30159791
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(6-nitro-1H-benzimidazol-2-yl)methanamine
SMILESNCc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C8H8N4O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,4,9H2,(H,10,11)
InChIKeyBRGDBWNIKSYHTD-UHFFFAOYSA-N
XLogP0.93
TPSA97.84 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 ≤ 50.93
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

2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
CID 145237934
CID 145237934
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
CID 1093223
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-1H-benzimidazole
CID 4915687
2-[(Z)-heptadec-8-enyl]-6-nitro-1H-benzimidazole
CID 42604377
2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712
2-(aminomethyl)-3H-benzimidazole-5-sulfonate
CID 153436267
N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160078
4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160086
8-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine
CID 2293453

Frequently Asked Questions

What is the IUPAC name of (6-nitro-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of (6-nitro-1H-benzimidazol-2-yl)methanamine (CID 30159791) is (6-nitro-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for (6-nitro-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for (6-nitro-1H-benzimidazol-2-yl)methanamine is NCc1nc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of (6-nitro-1H-benzimidazol-2-yl)methanamine?
The InChIKey is BRGDBWNIKSYHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,4,9H2,(H,10,11).
What are the key properties of (6-nitro-1H-benzimidazol-2-yl)methanamine?
(6-nitro-1H-benzimidazol-2-yl)methanamine has a molecular weight of 192.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 30159791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).