4-benzyl-2-piperidin-1-yl-1H-benzimidazole

C19H21N3 — CID 54081278

IUPAC4-benzyl-2-piperidin-1-yl-1H-benzimidazole
SMILESc1ccc(Cc2cccc3[nH]c(N4CCCCC4)nc23)cc1
InChIInChI=1S/C19H21N3/c1-3-8-15(9-4-1)14-16-10-7-11-17-18(16)21-19(20-17)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-14H2,(H,20,21)
InChIKeyMNHLFEPILJGVRW-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.14
Rot. Bonds3

About 4-benzyl-2-piperidin-1-yl-1H-benzimidazole

4-benzyl-2-piperidin-1-yl-1H-benzimidazole (PubChem CID 54081278) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-benzyl-2-piperidin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-benzyl-2-piperidin-1-yl-1H-benzimidazole
PubChem CID54081278
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-benzyl-2-piperidin-1-yl-1H-benzimidazole
SMILESc1ccc(Cc2cccc3[nH]c(N4CCCCC4)nc23)cc1
InChIInChI=1S/C19H21N3/c1-3-8-15(9-4-1)14-16-10-7-11-17-18(16)21-19(20-17)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-14H2,(H,20,21)
InChIKeyMNHLFEPILJGVRW-UHFFFAOYSA-N
XLogP4.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-piperidin-1-yl-1H-benzimidazole?
The IUPAC name of 4-benzyl-2-piperidin-1-yl-1H-benzimidazole (CID 54081278) is 4-benzyl-2-piperidin-1-yl-1H-benzimidazole.
What is the SMILES notation for 4-benzyl-2-piperidin-1-yl-1H-benzimidazole?
The canonical SMILES for 4-benzyl-2-piperidin-1-yl-1H-benzimidazole is c1ccc(Cc2cccc3[nH]c(N4CCCCC4)nc23)cc1.
What is the InChIKey of 4-benzyl-2-piperidin-1-yl-1H-benzimidazole?
The InChIKey is MNHLFEPILJGVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-8-15(9-4-1)14-16-10-7-11-17-18(16)21-19(20-17)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-14H2,(H,20,21).
What are the key properties of 4-benzyl-2-piperidin-1-yl-1H-benzimidazole?
4-benzyl-2-piperidin-1-yl-1H-benzimidazole has a molecular weight of 291.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-piperidin-1-yl-1H-benzimidazole is sourced from PubChem (CID 54081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).