2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol

C22H19N5O — CID 5272027

IUPAC2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-21(16-8-2-1-3-9-16)14-26-19-12-6-4-10-17(19)23-22(26)15-27-20-13-7-5-11-18(20)24-25-27/h1-13,21,28H,14-15H2
InChIKeyNCXSSYVYXNVLIX-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.56
Rot. Bonds5

About 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol

2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol (PubChem CID 5272027) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol
PubChem CID5272027
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-21(16-8-2-1-3-9-16)14-26-19-12-6-4-10-17(19)23-22(26)15-27-20-13-7-5-11-18(20)24-25-27/h1-13,21,28H,14-15H2
InChIKeyNCXSSYVYXNVLIX-UHFFFAOYSA-N
XLogP3.56
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol (CID 5272027) is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol is OC(Cn1c(Cn2nnc3ccccc32)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The InChIKey is NCXSSYVYXNVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-21(16-8-2-1-3-9-16)14-26-19-12-6-4-10-17(19)23-22(26)15-27-20-13-7-5-11-18(20)24-25-27/h1-13,21,28H,14-15H2.
What are the key properties of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol?
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol has a molecular weight of 369.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 5272027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).