2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole

C23H26N4O — CID 3399707

IUPAC2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-3-2-7-20(21)24-23(27)26(22)16-6-15-25-13-4-5-14-25/h2-3,7-12,17H,4-6,13-16H2,1H3
InChIKeySIZWTOKQGYBCEV-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole

2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole (PubChem CID 3399707) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole
PubChem CID3399707
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-3-2-7-20(21)24-23(27)26(22)16-6-15-25-13-4-5-14-25/h2-3,7-12,17H,4-6,13-16H2,1H3
InChIKeySIZWTOKQGYBCEV-UHFFFAOYSA-N
XLogP4.45
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole (CID 3399707) is 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole is COc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole?
The InChIKey is SIZWTOKQGYBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-3-2-7-20(21)24-23(27)26(22)16-6-15-25-13-4-5-14-25/h2-3,7-12,17H,4-6,13-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole?
2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole has a molecular weight of 374.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3399707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).