3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol

C16H22N2O3 — CID 82149592

IUPAC3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESCCC(CC)c1nc2cc3c(cc2n1CCCO)OCO3
InChIInChI=1S/C16H22N2O3/c1-3-11(4-2)16-17-12-8-14-15(21-10-20-14)9-13(12)18(16)6-5-7-19/h8-9,11,19H,3-7,10H2,1-2H3
InChIKeyVWUMHUXOWRIYBQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.05
Rot. Bonds6

About 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol

3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (PubChem CID 82149592) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
PubChem CID82149592
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESCCC(CC)c1nc2cc3c(cc2n1CCCO)OCO3
InChIInChI=1S/C16H22N2O3/c1-3-11(4-2)16-17-12-8-14-15(21-10-20-14)9-13(12)18(16)6-5-7-19/h8-9,11,19H,3-7,10H2,1-2H3
InChIKeyVWUMHUXOWRIYBQ-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The IUPAC name of 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (CID 82149592) is 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The canonical SMILES for 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is CCC(CC)c1nc2cc3c(cc2n1CCCO)OCO3.
What is the InChIKey of 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The InChIKey is VWUMHUXOWRIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11(4-2)16-17-12-8-14-15(21-10-20-14)9-13(12)18(16)6-5-7-19/h8-9,11,19H,3-7,10H2,1-2H3.
What are the key properties of 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is sourced from PubChem (CID 82149592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).