2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline

C20H17ClN4O — CID 165415228

IUPAC2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCc1nc(-c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C20H17ClN4O/c1-13-20(24-17-6-4-3-5-16(17)22-13)26-12-19-23-18(11-25(19)2)14-7-9-15(21)10-8-14/h3-11H,12H2,1-2H3
InChIKeySLPHKQYCMZIPCR-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.57
Rot. Bonds4

About 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline

2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline (PubChem CID 165415228) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline
PubChem CID165415228
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCc1nc(-c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C20H17ClN4O/c1-13-20(24-17-6-4-3-5-16(17)22-13)26-12-19-23-18(11-25(19)2)14-7-9-15(21)10-8-14/h3-11H,12H2,1-2H3
InChIKeySLPHKQYCMZIPCR-UHFFFAOYSA-N
XLogP4.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline (CID 165415228) is 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline is Cc1nc2ccccc2nc1OCc1nc(-c2ccc(Cl)cc2)cn1C.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline?
The InChIKey is SLPHKQYCMZIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-13-20(24-17-6-4-3-5-16(17)22-13)26-12-19-23-18(11-25(19)2)14-7-9-15(21)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline?
2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline has a molecular weight of 364.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1-methylimidazol-2-yl]methoxy]-3-methylquinoxaline is sourced from PubChem (CID 165415228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).