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

C16H15N5O — CID 5272011

IUPAC2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C16H15N5O/c22-10-9-20-14-7-3-1-5-12(14)17-16(20)11-21-15-8-4-2-6-13(15)18-19-21/h1-8,22H,9-11H2
InChIKeyICXURNPGRFVMDV-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.82
Rot. Bonds4

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

2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol (PubChem CID 5272011) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol
PubChem CID5272011
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C16H15N5O/c22-10-9-20-14-7-3-1-5-12(14)17-16(20)11-21-15-8-4-2-6-13(15)18-19-21/h1-8,22H,9-11H2
InChIKeyICXURNPGRFVMDV-UHFFFAOYSA-N
XLogP1.82
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.82
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]ethanol?
The IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol (CID 5272011) is 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol is OCCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol?
The InChIKey is ICXURNPGRFVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-10-9-20-14-7-3-1-5-12(14)17-16(20)11-21-15-8-4-2-6-13(15)18-19-21/h1-8,22H,9-11H2.
What are the key properties of 2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol?
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanol has a molecular weight of 293.33 g/mol, XLogP of 1.82, 4 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]ethanol is sourced from PubChem (CID 5272011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).