1H-benzimidazol-2-ylmethanamine;dihydrochloride

C8H11Cl2N3 — CID 2723957

IUPAC1H-benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2ccccc2[nH]1
InChIInChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChIKeyHAEYZZSSSUIZAN-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.87
Rot. Bonds1

About 1H-benzimidazol-2-ylmethanamine;dihydrochloride

1H-benzimidazol-2-ylmethanamine;dihydrochloride (PubChem CID 2723957) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethanamine;dihydrochloride
PubChem CID2723957
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name1H-benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2ccccc2[nH]1
InChIInChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChIKeyHAEYZZSSSUIZAN-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 1H-benzimidazol-2-ylmethanamine;dihydrochloride (CID 2723957) is 1H-benzimidazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 1H-benzimidazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylmethanamine;dihydrochloride?
The InChIKey is HAEYZZSSSUIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H.
What are the key properties of 1H-benzimidazol-2-ylmethanamine;dihydrochloride?
1H-benzimidazol-2-ylmethanamine;dihydrochloride has a molecular weight of 220.10 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 2723957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).