6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole

C25H25N3 — CID 158199390

IUPAC6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2
InChIKeyDYLIFZQNZZRJMX-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.68
Rot. Bonds4

About 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole

6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole (PubChem CID 158199390) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
PubChem CID158199390
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2
InChIKeyDYLIFZQNZZRJMX-UHFFFAOYSA-N
XLogP5.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The IUPAC name of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole (CID 158199390) is 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole.
What is the SMILES notation for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The canonical SMILES for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole is c1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1.
What is the InChIKey of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The InChIKey is DYLIFZQNZZRJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2.
What are the key properties of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole has a molecular weight of 367.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole is sourced from PubChem (CID 158199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).