2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

C21H20N4O — CID 25204228

IUPAC2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C21H20N4O/c1-2-6-20-19(5-1)22-15-25(20)18-9-7-16(8-10-18)21-23-17(14-26-21)13-24-11-3-4-12-24/h1-2,5-10,14-15H,3-4,11-13H2
InChIKeyQSNCELUSBGUFGT-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (PubChem CID 25204228) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
PubChem CID25204228
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C21H20N4O/c1-2-6-20-19(5-1)22-15-25(20)18-9-7-16(8-10-18)21-23-17(14-26-21)13-24-11-3-4-12-24/h1-2,5-10,14-15H,3-4,11-13H2
InChIKeyQSNCELUSBGUFGT-UHFFFAOYSA-N
XLogP4.28
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole 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 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (CID 25204228) is 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is c1ccc2c(c1)ncn2-c1ccc(-c2nc(CN3CCCC3)co2)cc1.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is QSNCELUSBGUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-6-20-19(5-1)22-15-25(20)18-9-7-16(8-10-18)21-23-17(14-26-21)13-24-11-3-4-12-24/h1-2,5-10,14-15H,3-4,11-13H2.
What are the key properties of 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 344.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 25204228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).