1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole

C22H19N5 — CID 5272025

IUPAC1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc(CCn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C22H19N5/c1-2-8-17(9-3-1)14-15-26-20-12-6-4-10-18(20)23-22(26)16-27-21-13-7-5-11-19(21)24-25-27/h1-13H,14-16H2
InChIKeyGMEXLGHMJJZWNN-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.07
Rot. Bonds5

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

1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272025) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272025
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESc1ccc(CCn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C22H19N5/c1-2-8-17(9-3-1)14-15-26-20-12-6-4-10-18(20)23-22(26)16-27-21-13-7-5-11-19(21)24-25-27/h1-13H,14-16H2
InChIKeyGMEXLGHMJJZWNN-UHFFFAOYSA-N
XLogP4.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272025) is 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole is c1ccc(CCn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1.
What is the InChIKey of 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is GMEXLGHMJJZWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-8-17(9-3-1)14-15-26-20-12-6-4-10-18(20)23-22(26)16-27-21-13-7-5-11-19(21)24-25-27/h1-13H,14-16H2.
What are the key properties of 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole?
1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 353.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).