4-methyl-5-nitro-1H-benzimidazol-2-amine

C8H8N4O2 — CID 18400140

IUPAC4-methyl-5-nitro-1H-benzimidazol-2-amine
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(N)nc12
InChIInChI=1S/C8H8N4O2/c1-4-6(12(13)14)3-2-5-7(4)11-8(9)10-5/h2-3H,1H3,(H3,9,10,11)
InChIKeyDYGOMAJAJALDNH-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.36
Rot. Bonds1

About 4-methyl-5-nitro-1H-benzimidazol-2-amine

4-methyl-5-nitro-1H-benzimidazol-2-amine (PubChem CID 18400140) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methyl-5-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-1H-benzimidazol-2-amine
PubChem CID18400140
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-methyl-5-nitro-1H-benzimidazol-2-amine
SMILESCc1c([N+](=O)[O-])ccc2[nH]c(N)nc12
InChIInChI=1S/C8H8N4O2/c1-4-6(12(13)14)3-2-5-7(4)11-8(9)10-5/h2-3H,1H3,(H3,9,10,11)
InChIKeyDYGOMAJAJALDNH-UHFFFAOYSA-N
XLogP1.36
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-1H-benzimidazol-2-amine?
The IUPAC name of 4-methyl-5-nitro-1H-benzimidazol-2-amine (CID 18400140) is 4-methyl-5-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methyl-5-nitro-1H-benzimidazol-2-amine is Cc1c([N+](=O)[O-])ccc2[nH]c(N)nc12.
What is the InChIKey of 4-methyl-5-nitro-1H-benzimidazol-2-amine?
The InChIKey is DYGOMAJAJALDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-6(12(13)14)3-2-5-7(4)11-8(9)10-5/h2-3H,1H3,(H3,9,10,11).
What are the key properties of 4-methyl-5-nitro-1H-benzimidazol-2-amine?
4-methyl-5-nitro-1H-benzimidazol-2-amine has a molecular weight of 192.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 18400140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).