5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol

C15H20N2O2 — CID 22643415

IUPAC5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol
SMILESC=C(C)n1c(OCCCCCO)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-12(2)17-14-9-5-4-8-13(14)16-15(17)19-11-7-3-6-10-18/h4-5,8-9,18H,1,3,6-7,10-11H2,2H3
InChIKeyPRQRNBMDTJKHAO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.07
Rot. Bonds7

About 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol

5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol (PubChem CID 22643415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol.

Molecular Properties

Compound Name5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol
PubChem CID22643415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol
SMILESC=C(C)n1c(OCCCCCO)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-12(2)17-14-9-5-4-8-13(14)16-15(17)19-11-7-3-6-10-18/h4-5,8-9,18H,1,3,6-7,10-11H2,2H3
InChIKeyPRQRNBMDTJKHAO-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol?
The IUPAC name of 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol (CID 22643415) is 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol.
What is the SMILES notation for 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol?
The canonical SMILES for 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol is C=C(C)n1c(OCCCCCO)nc2ccccc21.
What is the InChIKey of 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol?
The InChIKey is PRQRNBMDTJKHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)17-14-9-5-4-8-13(14)16-15(17)19-11-7-3-6-10-18/h4-5,8-9,18H,1,3,6-7,10-11H2,2H3.
What are the key properties of 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol?
5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol is sourced from PubChem (CID 22643415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).