3,4-bis(benzimidazol-1-yl)but-3-en-1-ol

C18H16N4O — CID 70466512

IUPAC3,4-bis(benzimidazol-1-yl)but-3-en-1-ol
SMILESOCCC(=Cn1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C18H16N4O/c23-10-9-14(22-13-20-16-6-2-4-8-18(16)22)11-21-12-19-15-5-1-3-7-17(15)21/h1-8,11-13,23H,9-10H2
InChIKeyDEAQIIFTYQPNDZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.22
Rot. Bonds4

About 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol

3,4-bis(benzimidazol-1-yl)but-3-en-1-ol (PubChem CID 70466512) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3,4-bis(benzimidazol-1-yl)but-3-en-1-ol
PubChem CID70466512
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3,4-bis(benzimidazol-1-yl)but-3-en-1-ol
SMILESOCCC(=Cn1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C18H16N4O/c23-10-9-14(22-13-20-16-6-2-4-8-18(16)22)11-21-12-19-15-5-1-3-7-17(15)21/h1-8,11-13,23H,9-10H2
InChIKeyDEAQIIFTYQPNDZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol?
The IUPAC name of 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol (CID 70466512) is 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol.
What is the SMILES notation for 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol?
The canonical SMILES for 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol is OCCC(=Cn1cnc2ccccc21)n1cnc2ccccc21.
What is the InChIKey of 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol?
The InChIKey is DEAQIIFTYQPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-10-9-14(22-13-20-16-6-2-4-8-18(16)22)11-21-12-19-15-5-1-3-7-17(15)21/h1-8,11-13,23H,9-10H2.
What are the key properties of 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol?
3,4-bis(benzimidazol-1-yl)but-3-en-1-ol has a molecular weight of 304.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(benzimidazol-1-yl)but-3-en-1-ol is sourced from PubChem (CID 70466512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).