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

C23H23N5O — CID 165415018

IUPAC2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline
SMILESCn1cc(-c2ccccc2)nc1COc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H23N5O/c1-27-15-20(17-9-3-2-4-10-17)24-21(27)16-29-23-22(28-13-7-8-14-28)25-18-11-5-6-12-19(18)26-23/h2-6,9-12,15H,7-8,13-14,16H2,1H3
InChIKeyQFDILQCLQCJSFH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.21
Rot. Bonds5

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

2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline (PubChem CID 165415018) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline
PubChem CID165415018
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline
SMILESCn1cc(-c2ccccc2)nc1COc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H23N5O/c1-27-15-20(17-9-3-2-4-10-17)24-21(27)16-29-23-22(28-13-7-8-14-28)25-18-11-5-6-12-19(18)26-23/h2-6,9-12,15H,7-8,13-14,16H2,1H3
InChIKeyQFDILQCLQCJSFH-UHFFFAOYSA-N
XLogP4.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline (CID 165415018) is 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline is Cn1cc(-c2ccccc2)nc1COc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is QFDILQCLQCJSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-15-20(17-9-3-2-4-10-17)24-21(27)16-29-23-22(28-13-7-8-14-28)25-18-11-5-6-12-19(18)26-23/h2-6,9-12,15H,7-8,13-14,16H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline?
2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 385.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 165415018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).