1-butan-2-ylbenzimidazole;hydrochloride

C11H15ClN2 — CID 56832397

IUPAC1-butan-2-ylbenzimidazole;hydrochloride
SMILESCCC(C)n1cnc2ccccc21.Cl
InChIInChI=1S/C11H14N2.ClH/c1-3-9(2)13-8-12-10-6-4-5-7-11(10)13;/h4-9H,3H2,1-2H3;1H
InChIKeyZMEFQUIWLPMENB-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.43
Rot. Bonds2

About 1-butan-2-ylbenzimidazole;hydrochloride

1-butan-2-ylbenzimidazole;hydrochloride (PubChem CID 56832397) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-butan-2-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-butan-2-ylbenzimidazole;hydrochloride
PubChem CID56832397
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-butan-2-ylbenzimidazole;hydrochloride
SMILESCCC(C)n1cnc2ccccc21.Cl
InChIInChI=1S/C11H14N2.ClH/c1-3-9(2)13-8-12-10-6-4-5-7-11(10)13;/h4-9H,3H2,1-2H3;1H
InChIKeyZMEFQUIWLPMENB-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylbenzimidazole;hydrochloride?
The IUPAC name of 1-butan-2-ylbenzimidazole;hydrochloride (CID 56832397) is 1-butan-2-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 1-butan-2-ylbenzimidazole;hydrochloride?
The canonical SMILES for 1-butan-2-ylbenzimidazole;hydrochloride is CCC(C)n1cnc2ccccc21.Cl.
What is the InChIKey of 1-butan-2-ylbenzimidazole;hydrochloride?
The InChIKey is ZMEFQUIWLPMENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-3-9(2)13-8-12-10-6-4-5-7-11(10)13;/h4-9H,3H2,1-2H3;1H.
What are the key properties of 1-butan-2-ylbenzimidazole;hydrochloride?
1-butan-2-ylbenzimidazole;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 56832397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).