4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol

C18H19N5O — CID 5272014

IUPAC4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol
SMILESCC(O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N5O/c1-13(24)10-11-22-16-8-4-2-6-14(16)19-18(22)12-23-17-9-5-3-7-15(17)20-21-23/h2-9,13,24H,10-12H2,1H3
InChIKeyAISZCNMKDDGRKC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol

4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol (PubChem CID 5272014) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol
PubChem CID5272014
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol
SMILESCC(O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N5O/c1-13(24)10-11-22-16-8-4-2-6-14(16)19-18(22)12-23-17-9-5-3-7-15(17)20-21-23/h2-9,13,24H,10-12H2,1H3
InChIKeyAISZCNMKDDGRKC-UHFFFAOYSA-N
XLogP2.60
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol?
The IUPAC name of 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol (CID 5272014) is 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol.
What is the SMILES notation for 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol?
The canonical SMILES for 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol is CC(O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol?
The InChIKey is AISZCNMKDDGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13(24)10-11-22-16-8-4-2-6-14(16)19-18(22)12-23-17-9-5-3-7-15(17)20-21-23/h2-9,13,24H,10-12H2,1H3.
What are the key properties of 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol?
4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol has a molecular weight of 321.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ol is sourced from PubChem (CID 5272014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).