2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol

C27H29N3O2 — CID 52946352

IUPAC2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCCN4CCCCC4)cc3)c2c1
InChIInChI=1S/C27H29N3O2/c31-23-11-14-25-26(19-23)30(27(28-25)22-7-3-1-4-8-22)20-21-9-12-24(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,31H,2,5-6,15-18,20H2
InChIKeyGMZOUUGFWPQXRQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.32
Rot. Bonds7

About 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol

2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol (PubChem CID 52946352) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol.

Molecular Properties

Compound Name2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol
PubChem CID52946352
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCCN4CCCCC4)cc3)c2c1
InChIInChI=1S/C27H29N3O2/c31-23-11-14-25-26(19-23)30(27(28-25)22-7-3-1-4-8-22)20-21-9-12-24(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,31H,2,5-6,15-18,20H2
InChIKeyGMZOUUGFWPQXRQ-UHFFFAOYSA-N
XLogP5.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol?
The IUPAC name of 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol (CID 52946352) is 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol.
What is the SMILES notation for 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol?
The canonical SMILES for 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol is Oc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCCN4CCCCC4)cc3)c2c1.
What is the InChIKey of 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol?
The InChIKey is GMZOUUGFWPQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-23-11-14-25-26(19-23)30(27(28-25)22-7-3-1-4-8-22)20-21-9-12-24(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,31H,2,5-6,15-18,20H2.
What are the key properties of 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol?
2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol has a molecular weight of 427.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzimidazol-5-ol is sourced from PubChem (CID 52946352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).