2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride

C7H11ClN2 — CID 70124449

IUPAC2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride
SMILESC1=CCC2NCNC2=C1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,7-9H,4-5H2;1H
InChIKeyOWNFVFIDMCTAIZ-UHFFFAOYSA-N
MW158.63 g/mol
LogP0.77
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride

2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride (PubChem CID 70124449) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride
PubChem CID70124449
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride
SMILESC1=CCC2NCNC2=C1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,7-9H,4-5H2;1H
InChIKeyOWNFVFIDMCTAIZ-UHFFFAOYSA-N
XLogP0.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride (CID 70124449) is 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride is C1=CCC2NCNC2=C1.Cl.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride?
The InChIKey is OWNFVFIDMCTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,7-9H,4-5H2;1H.
What are the key properties of 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride?
2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 70124449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).