4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride

C8H15Cl2N3 — CID 71779243

IUPAC4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H13N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2,(H,10,11);2*1H
InChIKeyUCDZHHNEVLWMHY-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.59
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride

4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride (PubChem CID 71779243) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
PubChem CID71779243
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H13N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2,(H,10,11);2*1H
InChIKeyUCDZHHNEVLWMHY-UHFFFAOYSA-N
XLogP1.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride (CID 71779243) is 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The InChIKey is UCDZHHNEVLWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2,(H,10,11);2*1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride?
4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 71779243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).