1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride

C18H19ClN2O2 — CID 2965954

IUPAC1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-2-18(21)14-7-9-15(10-8-14)22-12-11-20-13-19-16-5-3-4-6-17(16)20;/h3-10,13H,2,11-12H2,1H3;1H
InChIKeyPLLRGYICGVOGLS-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride

1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride (PubChem CID 2965954) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride
PubChem CID2965954
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-2-18(21)14-7-9-15(10-8-14)22-12-11-20-13-19-16-5-3-4-6-17(16)20;/h3-10,13H,2,11-12H2,1H3;1H
InChIKeyPLLRGYICGVOGLS-UHFFFAOYSA-N
XLogP4.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride (CID 2965954) is 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride is CCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1.Cl.
What is the InChIKey of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride?
The InChIKey is PLLRGYICGVOGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c1-2-18(21)14-7-9-15(10-8-14)22-12-11-20-13-19-16-5-3-4-6-17(16)20;/h3-10,13H,2,11-12H2,1H3;1H.
What are the key properties of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride?
1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 2965954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).