3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol

C17H16N2O3 — CID 82149522

IUPAC3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-9-3-8-19-14-5-2-1-4-13(14)18-17(19)12-6-7-15-16(10-12)22-11-21-15/h1-2,4-7,10,20H,3,8-9,11H2
InChIKeyJEVDGWRGZGBPGR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.81
Rot. Bonds4

About 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol

3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82149522) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
PubChem CID82149522
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-9-3-8-19-14-5-2-1-4-13(14)18-17(19)12-6-7-15-16(10-12)22-11-21-15/h1-2,4-7,10,20H,3,8-9,11H2
InChIKeyJEVDGWRGZGBPGR-UHFFFAOYSA-N
XLogP2.81
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
CID 83968850
3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 55520927
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
CID 82149624
N-(1,3-benzodioxol-5-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylpropanamide
CID 18291460

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol (CID 82149522) is 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol is OCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is JEVDGWRGZGBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-9-3-8-19-14-5-2-1-4-13(14)18-17(19)12-6-7-15-16(10-12)22-11-21-15/h1-2,4-7,10,20H,3,8-9,11H2.
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol?
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 296.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).