1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole

C20H23N3 — CID 2986295

IUPAC1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
SMILESc1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3/c1-3-9-17(10-4-1)15-23-19-12-6-5-11-18(19)21-20(23)16-22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-16H2
InChIKeyTXKJWQIPAXUAHR-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.07
Rot. Bonds4

About 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole

1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole (PubChem CID 2986295) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
PubChem CID2986295
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
SMILESc1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3/c1-3-9-17(10-4-1)15-23-19-12-6-5-11-18(19)21-20(23)16-22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-16H2
InChIKeyTXKJWQIPAXUAHR-UHFFFAOYSA-N
XLogP4.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
CID 58780374
1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole;2,2,2-trifluoroacetic acid
CID 162312765
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole (CID 2986295) is 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole is c1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole?
The InChIKey is TXKJWQIPAXUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-9-17(10-4-1)15-23-19-12-6-5-11-18(19)21-20(23)16-22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-16H2.
What are the key properties of 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole?
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 2986295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).