4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride

C7H12ClN3 — CID 69238739

IUPAC4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.Nc1nc2c([nH]1)CCCC2
InChIInChI=1S/C7H11N3.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H3,8,9,10);1H
InChIKeyAYOBXRTVMOGKGA-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.29
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride

4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 69238739) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride
PubChem CID69238739
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.Nc1nc2c([nH]1)CCCC2
InChIInChI=1S/C7H11N3.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H3,8,9,10);1H
InChIKeyAYOBXRTVMOGKGA-UHFFFAOYSA-N
XLogP1.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride (CID 69238739) is 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride is Cl.Nc1nc2c([nH]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is AYOBXRTVMOGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H3,8,9,10);1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride?
4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 1.29, 0 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-amine;hydrochloride is sourced from PubChem (CID 69238739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).