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

C16H15N3O3 — CID 82149606

IUPAC3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESOCCCn1c(-c2ccncc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H15N3O3/c20-7-1-6-19-13-9-15-14(21-10-22-15)8-12(13)18-16(19)11-2-4-17-5-3-11/h2-5,8-9,20H,1,6-7,10H2
InChIKeyXHIGWHHNNMNKDO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds4

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

3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (PubChem CID 82149606) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
PubChem CID82149606
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESOCCCn1c(-c2ccncc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H15N3O3/c20-7-1-6-19-13-9-15-14(21-10-22-15)8-12(13)18-16(19)11-2-4-17-5-3-11/h2-5,8-9,20H,1,6-7,10H2
InChIKeyXHIGWHHNNMNKDO-UHFFFAOYSA-N
XLogP2.21
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
4-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]butanenitrile
CID 82150504
3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149589
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
CID 82149624
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
CID 82149438
3-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanenitrile
CID 94748714
3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
CID 83968850
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The IUPAC name of 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (CID 82149606) is 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The canonical SMILES for 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is OCCCn1c(-c2ccncc2)nc2cc3c(cc21)OCO3.
What is the InChIKey of 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The InChIKey is XHIGWHHNNMNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-7-1-6-19-13-9-15-14(21-10-22-15)8-12(13)18-16(19)11-2-4-17-5-3-11/h2-5,8-9,20H,1,6-7,10H2.
What are the key properties of 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol has a molecular weight of 297.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is sourced from PubChem (CID 82149606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).