2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride

C9H17Cl2N3 — CID 13170819

IUPAC2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H15N3.2ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;;/h1-6,10H2,(H,11,12);2*1H
InChIKeyCHHZJQHNISYXQU-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.63
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride

2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 13170819) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
PubChem CID13170819
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H15N3.2ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;;/h1-6,10H2,(H,11,12);2*1H
InChIKeyCHHZJQHNISYXQU-UHFFFAOYSA-N
XLogP1.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride (CID 13170819) is 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is CHHZJQHNISYXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;;/h1-6,10H2,(H,11,12);2*1H.
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 13170819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).