2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole

C21H24N6 — CID 5272032

IUPAC2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc2nn(Cc3nc4ccccc4n3CCN3CCCCC3)nc2c1
InChIInChI=1S/C21H24N6/c1-6-12-25(13-7-1)14-15-26-20-11-5-4-10-19(20)22-21(26)16-27-23-17-8-2-3-9-18(17)24-27/h2-5,8-11H,1,6-7,12-16H2
InChIKeyCSVUUUBNJNIONM-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.32
Rot. Bonds5

About 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole

2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272032) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272032
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc2nn(Cc3nc4ccccc4n3CCN3CCCCC3)nc2c1
InChIInChI=1S/C21H24N6/c1-6-12-25(13-7-1)14-15-26-20-11-5-4-10-19(20)22-21(26)16-27-23-17-8-2-3-9-18(17)24-27/h2-5,8-11H,1,6-7,12-16H2
InChIKeyCSVUUUBNJNIONM-UHFFFAOYSA-N
XLogP3.32
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
2-(azepan-1-ylmethyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 18885411
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272032) is 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole is c1ccc2nn(Cc3nc4ccccc4n3CCN3CCCCC3)nc2c1.
What is the InChIKey of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is CSVUUUBNJNIONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-6-12-25(13-7-1)14-15-26-20-11-5-4-10-19(20)22-21(26)16-27-23-17-8-2-3-9-18(17)24-27/h2-5,8-11H,1,6-7,12-16H2.
What are the key properties of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole?
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 360.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).