4H-benzimidazole-4-carboximidamide

C8H8N4 — CID 145190784

IUPAC4H-benzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C2N=CN=C21
InChIInChI=1S/C8H8N4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-5H,(H3,9,10)
InChIKeyLFCMFRQWSUURHB-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.48
Rot. Bonds1

About 4H-benzimidazole-4-carboximidamide

4H-benzimidazole-4-carboximidamide (PubChem CID 145190784) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4H-benzimidazole-4-carboximidamide.

Molecular Properties

Compound Name4H-benzimidazole-4-carboximidamide
PubChem CID145190784
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4H-benzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C2N=CN=C21
InChIInChI=1S/C8H8N4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-5H,(H3,9,10)
InChIKeyLFCMFRQWSUURHB-UHFFFAOYSA-N
XLogP0.48
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4H-benzimidazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,11-Diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
CID 172543727
Cyclohepta[e]benzimidazole-6,8-diamine
CID 172543834

Frequently Asked Questions

What is the IUPAC name of 4H-benzimidazole-4-carboximidamide?
The IUPAC name of 4H-benzimidazole-4-carboximidamide (CID 145190784) is 4H-benzimidazole-4-carboximidamide.
What is the SMILES notation for 4H-benzimidazole-4-carboximidamide?
The canonical SMILES for 4H-benzimidazole-4-carboximidamide is [H]/N=C(\N)C1C=CC=C2N=CN=C21.
What is the InChIKey of 4H-benzimidazole-4-carboximidamide?
The InChIKey is LFCMFRQWSUURHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-5H,(H3,9,10).
What are the key properties of 4H-benzimidazole-4-carboximidamide?
4H-benzimidazole-4-carboximidamide has a molecular weight of 160.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzimidazole-4-carboximidamide is sourced from PubChem (CID 145190784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).