2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline

C24H25N5 — CID 165414880

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H25N5/c1-28-17-22(18-9-3-2-4-10-18)26-23(28)14-13-21-24(29-15-7-8-16-29)27-20-12-6-5-11-19(20)25-21/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyXUCBWRCPSGAJQR-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.42
Rot. Bonds5

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline (PubChem CID 165414880) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline
PubChem CID165414880
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H25N5/c1-28-17-22(18-9-3-2-4-10-18)26-23(28)14-13-21-24(29-15-7-8-16-29)27-20-12-6-5-11-19(20)25-21/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyXUCBWRCPSGAJQR-UHFFFAOYSA-N
XLogP4.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline (CID 165414880) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline is Cn1cc(-c2ccccc2)nc1CCc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is XUCBWRCPSGAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-28-17-22(18-9-3-2-4-10-18)26-23(28)14-13-21-24(29-15-7-8-16-29)27-20-12-6-5-11-19(20)25-21/h2-6,9-12,17H,7-8,13-16H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 383.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 165414880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).