5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole

C33H35N5O — CID 123162932

IUPAC5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCc1cc(-c2ccc3c(c2)CCc2c-3oc3ccc(-c4cnc(C5CCCN5)[nH]4)cc23)[nH]c1C1CCCN1
InChIInChI=1S/C33H35N5O/c1-2-19-17-28(37-31(19)26-5-3-13-34-26)21-8-10-23-20(15-21)7-11-24-25-16-22(9-12-30(25)39-32(23)24)29-18-36-33(38-29)27-6-4-14-35-27/h8-10,12,15-18,26-27,34-35,37H,2-7,11,13-14H2,1H3,(H,36,38)
InChIKeySFDZFNMMNAHYFM-UHFFFAOYSA-N
MW517.68 g/mol
LogP6.99
Rot. Bonds5

About 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole

5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 123162932) has the molecular formula C33H35N5O and a molecular weight of 517.68 g/mol. Its IUPAC name is 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID123162932
Molecular FormulaC33H35N5O
Molecular Weight517.68 g/mol
Exact Mass517.28
IUPAC Name5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCc1cc(-c2ccc3c(c2)CCc2c-3oc3ccc(-c4cnc(C5CCCN5)[nH]4)cc23)[nH]c1C1CCCN1
InChIInChI=1S/C33H35N5O/c1-2-19-17-28(37-31(19)26-5-3-13-34-26)21-8-10-23-20(15-21)7-11-24-25-16-22(9-12-30(25)39-32(23)24)29-18-36-33(38-29)27-6-4-14-35-27/h8-10,12,15-18,26-27,34-35,37H,2-7,11,13-14H2,1H3,(H,36,38)
InChIKeySFDZFNMMNAHYFM-UHFFFAOYSA-N
XLogP6.99
TPSA81.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 56.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole (CID 123162932) is 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole is CCc1cc(-c2ccc3c(c2)CCc2c-3oc3ccc(-c4cnc(C5CCCN5)[nH]4)cc23)[nH]c1C1CCCN1.
What is the InChIKey of 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is SFDZFNMMNAHYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O/c1-2-19-17-28(37-31(19)26-5-3-13-34-26)21-8-10-23-20(15-21)7-11-24-25-16-22(9-12-30(25)39-32(23)24)29-18-36-33(38-29)27-6-4-14-35-27/h8-10,12,15-18,26-27,34-35,37H,2-7,11,13-14H2,1H3,(H,36,38).
What are the key properties of 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole?
5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 517.68 g/mol, XLogP of 6.99, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)-5,6-dihydronaphtho[1,2-b][1]benzofuran-8-yl]-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 123162932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).