3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol

C17H17ClN2O3 — CID 126694760

IUPAC3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
SMILESOC1(CN2CNc3ccc(Oc4ccc(Cl)cc4)cc32)COC1
InChIInChI=1S/C17H17ClN2O3/c18-12-1-3-13(4-2-12)23-14-5-6-15-16(7-14)20(11-19-15)8-17(21)9-22-10-17/h1-7,19,21H,8-11H2
InChIKeyJYQYDCDGHABCRL-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.08
Rot. Bonds4

About 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol

3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol (PubChem CID 126694760) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
PubChem CID126694760
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
SMILESOC1(CN2CNc3ccc(Oc4ccc(Cl)cc4)cc32)COC1
InChIInChI=1S/C17H17ClN2O3/c18-12-1-3-13(4-2-12)23-14-5-6-15-16(7-14)20(11-19-15)8-17(21)9-22-10-17/h1-7,19,21H,8-11H2
InChIKeyJYQYDCDGHABCRL-UHFFFAOYSA-N
XLogP3.08
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The IUPAC name of 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol (CID 126694760) is 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol.
What is the SMILES notation for 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The canonical SMILES for 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol is OC1(CN2CNc3ccc(Oc4ccc(Cl)cc4)cc32)COC1.
What is the InChIKey of 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The InChIKey is JYQYDCDGHABCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-12-1-3-13(4-2-12)23-14-5-6-15-16(7-14)20(11-19-15)8-17(21)9-22-10-17/h1-7,19,21H,8-11H2.
What are the key properties of 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol has a molecular weight of 332.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol is sourced from PubChem (CID 126694760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).