2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline

C19H17N5 — CID 139028268

IUPAC2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CC(n2cnc3ccccc32)C1
InChIInChI=1S/C19H17N5/c1-13-19(22-16-7-3-2-6-15(16)21-13)23-10-14(11-23)24-12-20-17-8-4-5-9-18(17)24/h2-9,12,14H,10-11H2,1H3
InChIKeyZEQNEOYFXQOZJK-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.35
Rot. Bonds2

About 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline

2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline (PubChem CID 139028268) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline
PubChem CID139028268
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CC(n2cnc3ccccc32)C1
InChIInChI=1S/C19H17N5/c1-13-19(22-16-7-3-2-6-15(16)21-13)23-10-14(11-23)24-12-20-17-8-4-5-9-18(17)24/h2-9,12,14H,10-11H2,1H3
InChIKeyZEQNEOYFXQOZJK-UHFFFAOYSA-N
XLogP3.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline (CID 139028268) is 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CC(n2cnc3ccccc32)C1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline?
The InChIKey is ZEQNEOYFXQOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-19(22-16-7-3-2-6-15(16)21-13)23-10-14(11-23)24-12-20-17-8-4-5-9-18(17)24/h2-9,12,14H,10-11H2,1H3.
What are the key properties of 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline?
2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline has a molecular weight of 315.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 139028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).