5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole

C20H15N3O2 — CID 141095840

IUPAC5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole
SMILESC1=COC(c2ccc3c(c2)ncn3-c2cccc(-n3cccc3)c2)O1
InChIInChI=1S/C20H15N3O2/c1-2-9-22(8-1)16-4-3-5-17(13-16)23-14-21-18-12-15(6-7-19(18)23)20-24-10-11-25-20/h1-14,20H
InChIKeyHSNJWBUZSROABB-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.33
Rot. Bonds3

About 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole

5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole (PubChem CID 141095840) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole
PubChem CID141095840
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole
SMILESC1=COC(c2ccc3c(c2)ncn3-c2cccc(-n3cccc3)c2)O1
InChIInChI=1S/C20H15N3O2/c1-2-9-22(8-1)16-4-3-5-17(13-16)23-14-21-18-12-15(6-7-19(18)23)20-24-10-11-25-20/h1-14,20H
InChIKeyHSNJWBUZSROABB-UHFFFAOYSA-N
XLogP4.33
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole?
The IUPAC name of 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole (CID 141095840) is 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole.
What is the SMILES notation for 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole?
The canonical SMILES for 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole is C1=COC(c2ccc3c(c2)ncn3-c2cccc(-n3cccc3)c2)O1.
What is the InChIKey of 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole?
The InChIKey is HSNJWBUZSROABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-9-22(8-1)16-4-3-5-17(13-16)23-14-21-18-12-15(6-7-19(18)23)20-24-10-11-25-20/h1-14,20H.
What are the key properties of 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole?
5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole has a molecular weight of 329.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole is sourced from PubChem (CID 141095840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).