1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol

C25H25N3O — CID 44526303

IUPAC1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1
InChIInChI=1S/C25H25N3O/c29-22-7-4-14-28(17-22)16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)25-26-23-8-1-2-9-24(23)27-25/h1-3,5-6,8-13,15,22,29H,4,7,14,16-17H2,(H,26,27)
InChIKeyIMMRMKUWDFLSMP-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.85
Rot. Bonds4

About 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol

1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol (PubChem CID 44526303) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
PubChem CID44526303
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1
InChIInChI=1S/C25H25N3O/c29-22-7-4-14-28(17-22)16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)25-26-23-8-1-2-9-24(23)27-25/h1-3,5-6,8-13,15,22,29H,4,7,14,16-17H2,(H,26,27)
InChIKeyIMMRMKUWDFLSMP-UHFFFAOYSA-N
XLogP4.85
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol (CID 44526303) is 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1.
What is the InChIKey of 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
The InChIKey is IMMRMKUWDFLSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-22-7-4-14-28(17-22)16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)25-26-23-8-1-2-9-24(23)27-25/h1-3,5-6,8-13,15,22,29H,4,7,14,16-17H2,(H,26,27).
What are the key properties of 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol?
1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol has a molecular weight of 383.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 44526303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).